Vitas-M small molecule compound

6-(dimethylamino)-2,4-bis[2,3,5-tris-O-(phenylcarbonyl)pentofuranosyl]-1,2,4-triazine-3,5(2H,4H)-dione

Catalog ID
STL528882
SMILES O=C(c1ccccc1)OC1C(OC(=O)c2ccccc2)C(OC1n1nc(N(C)C)c(=O)n(c1=O)C1OC(C(C1OC(=O)c1ccccc1)OC(=O)c1ccccc1)COC(=O)c1ccccc1)COC(=O)c1ccccc1

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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 C57H48N4O16 MW 1045.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C57H48N4O16/c1-59(2)47-48(62)60(49-45(76-55(67)39-29-17-7-18-30-39)43(74-53(65)37-25-13-5-14-26-37)41(72-49)33-70-51(63)35-21-9-3-10-22-35)57(69)61(58-47)50-46(77-56(68)40-31-19-8-20-32-40)44(75-54(66)38-27-15-6-16-28-38)42(73-50)34-71-52(64)36-2
InChIKey
JNRNIJXHDHXSIY-UHFFFAOYSA-N
Synonyms
303795-46-2
(34dibenzoyloxy5(2(34dibenzoyloxy5(benzoyloxymethyl)oxolan2yl)6(dimethylamino)35dioxo124triazin4yl)oxolan2yl)methylbenzoate
16132933
303795462
4(benzoyloxy)2((benzoyloxy)methyl)5(4(34bis(benzoyloxy)5((benzoyloxy)methyl)oxolan2yl)6(dimethylamino)35dioxo2345tetrahydro124triazin2yl)oxolan3ylbenzoate
6(dimethylamino)24bis(235trisO(phenylcarbonyl)pentofuranosyl)124triazine35(2H4H)dione
InChI=1SC57H48N4O16c159(2)4748(62)60(4945(7655(67)3929177183039)43(7453(65)3725135142637)41(7249)337051(63)352193102235)57(69)61(5847)5046(7756(68)4031198203240)44(7554(66)3827156162838)42(7350)347152(64)3623114122436h33241464950H3334H212H3
MFCD00546591

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Available files

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