Vitas-M small molecule compound
N-(3-acetylphenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL122296
SMILES O=C(Nc1cccc(c1)C(=O)C)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3
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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 C20H19N3O3S2 MW 413.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O3S2/c1-11(24)12-5-4-6-13(9-12)21-16(25)10-27-20-22-18(26)17-14-7-2-3-8-15(14)28-19(17)23-20/h4-6,9H,2-3,7-8,10H2,1H3,(H,21,25)(H,22,23,26)InChIKey
XDUBQXNWUFOHHM-UHFFFAOYSA-NSynonyms
CC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2
InChI=1SC20H19N3O3S2c111(24)1254613(912)2116(25)1027202218(26)1714723815(14)2819(17)2320h469H237810H21H3(H2125)(H222326)
MFCD06169165
N(3acetylphenyl)2((4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(3acetylphenyl)2((4oxo5678tetrahydro3H(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
O=C(Nc1cccc(c1)C(=O)C)CSc1nc2sc3c(c2c(=O)(nH)1)CCCC3
ZINC000004285896
ZINC4285896
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