Vitas-M small molecule compound
methyl 4-{[(3-butyl-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl)acetyl]amino}benzoate
Catalog ID
STL030677
SMILES CCCCn1c(=O)n(CC(=O)Nc2ccc(cc2)C(=O)OC)c2c(c1=O)scc2
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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 C20H21N3O5S MW 415.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O5S/c1-3-4-10-22-18(25)17-15(9-11-29-17)23(20(22)27)12-16(24)21-14-7-5-13(6-8-14)19(26)28-2/h5-9,11H,3-4,10,12H2,1-2H3,(H,21,24)InChIKey
LDBWZBQPXHSKGE-UHFFFAOYSA-NSynonyms
1252857-36-51252857365
CCCCN1C(=O)C2=C(C=CS2)N(C1=O)CC(=O)NC3=CC=C(C=C3)C(=O)OC
InChI=1SC20H21N3O5Sc134102218(25)1715(9112917)23(20(22)27)1216(24)21147513(6814)19(26)282h5911H341012H212H3(H2124)
methyl4(((3butyl24dioxo34dihydrothieno(32d)pyrimidin1(2H)yl)acetyl)amino)benzoate
methyl4((2(3butyl24dioxothieno(32d)pyrimidin1yl)acetyl)amino)benzoate
MFCD18190865
ZINC000057427265
ZINC57427265
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