Vitas-M small molecule compound

Catalog ID
STK365677
SMILES N#CCCOP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1)n1cnc2c1nc(NC(=O)C(C)C)[nH]c2=O)Oc1ccc(cc1)Cl)n1ccc(nc1=O)NC(=O)c1ccccc1)Oc1ccc(cc1)Cl

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C66H63Cl2N9O17P2 MW 1387.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C66H63Cl2N9O17P2/c1-41(2)61(78)74-64-73-60-59(63(80)75-64)70-40-77(60)58-37-52(54(89-58)38-86-66(43-14-9-6-10-15-43,44-16-24-48(84-3)25-17-44)45-18-26-49(85-4)27-19-45)94-96(83,92-51-30-22-47(68)23-31-51)88-39-55-53(93-95(82,87-35-11-33-69)91-50-
InChIKey
APAQBMFKZVCDMX-UHFFFAOYSA-N
Synonyms

(5(4benzamido2oxopyrimidin1yl)2(((2((bis(4methoxyphenyl)phenylmethoxy)methyl)5(2(2methylpropanoylamino)6oxo3Hpurin9yl)oxolan3yl)oxy(4chlorophenoxy)phosphoryl)oxymethyl)oxolan3yl)(4chlorophenyl)2cyanoethylphosphate
2((BIS(4METHOXYPHENYL)PHENYLMETHOXY)METHYL)5(2(2METHYLPROPANOYLAMINO)6OXOHYDROPURIN9YL)OXOLAN3YL4CHLOROPHENYL(3((4CHLOROPHENYL)OXYPHOSPHINYL)5(2OXO4(PHENYLCARBONYLAMINO)HYDROPYRIMIDINYL)OXOLAN2YL)METHYLPHOSPHATE
CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)C3CC(C(O3)COC(C4=CC=CC=C4)(C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)OP(=O)(OCC7C(CC(O7)N8C=CC(=NC8=O)NC(=O)C9=CC=CC=C9)OP(=O)(OCCC#N)OC1=CC=C(C=C1)Cl)OC1=CC=C(C=C1)Cl
InChI=1SC66H63Cl2N9O17P2c141(2)61(78)7464736059(63(80)7564)704077(60)583752(54(8958)388666(43149610154344162448(843)251744)45182649(854)271945)9496(839251302247(68)233151)88395553(9395(828735113369)9150282046(67)212950)3657(9055)76343256(7265(76)81)7
MFCD00308189
N#CCCOP(=O)(OC1CC(OC1COP(=O)(OC1CC(OC1COC(c1ccc(cc1)OC)(c1ccc(cc1)OC)c1ccccc1)n1cnc2c1nc(NC(=O)C(C)C)(nH)c2=O)Oc1ccc(cc1)Cl)n1ccc(nc1=O)NC(=O)c1ccccc1)Oc1ccc(cc1)Cl

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.