Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-2-{[3-(3-chlorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

Catalog ID
STL076103
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nc2ccsc2c(=O)n1c1cccc(c1)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 C21H14ClN3O4S2 MW 471.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClN3O4S2/c22-12-2-1-3-14(8-12)25-20(27)19-15(6-7-30-19)24-21(25)31-10-18(26)23-13-4-5-16-17(9-13)29-11-28-16/h1-9H,10-11H2,(H,23,26)
InChIKey
BLBKXDBMOQDBGI-UHFFFAOYSA-N
Synonyms

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC(=CC=C5)Cl)SC=C4
InChI=1SC21H14ClN3O4S2c221221314(812)2520(27)1915(673019)2421(25)311018(26)2313451617(913)29112816h19H1011H2(H2326)
MFCD18197354
N(13benzodioxol5yl)2((3(3chlorophenyl)4oxo34dihydrothieno(32d)pyrimidin2yl)sulfanyl)acetamide
N(13benzodioxol5yl)2(3(3chlorophenyl)4oxothieno(32d)pyrimidin2yl)sulfanylacetamide
ZINC000067216619
ZINC67216619

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Available files

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