Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[3-(3-methylphenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL075637
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nc2ccsc2c(=O)n1c1cccc(c1)C
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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 C22H17N3O4S2 MW 451.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4S2/c1-13-3-2-4-15(9-13)25-21(27)20-16(7-8-30-20)24-22(25)31-11-19(26)23-14-5-6-17-18(10-14)29-12-28-17/h2-10H,11-12H2,1H3,(H,23,26)InChIKey
FLLCKDDXJNXMOJ-UHFFFAOYSA-NSynonyms
CC1=CC(=CC=C1)N2C(=O)C3=C(C=CS3)N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5
InChI=1SC22H17N3O4S2c11332415(913)2521(27)2016(783020)2422(25)311119(26)2314561718(1014)29122817h210H1112H21H3(H2326)
MFCD18196889
N(13benzodioxol5yl)2((3(3methylphenyl)4oxo34dihydrothieno(32d)pyrimidin2yl)sulfanyl)acetamide
N(13benzodioxol5yl)2(3(3methylphenyl)4oxothieno(32d)pyrimidin2yl)sulfanylacetamide
ZINC000057487454
ZINC57487454
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