Vitas-M small molecule compound
2-(1H-benzimidazol-2-ylsulfanyl)-1-(1,3-benzodioxol-5-yl)ethanone
Catalog ID
STK804559
SMILES O=C(c1ccc2c(c1)OCO2)CSc1nc2c([nH]1)cccc2
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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 C16H12N2O3S MW 312.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12N2O3S/c19-13(10-5-6-14-15(7-10)21-9-20-14)8-22-16-17-11-3-1-2-4-12(11)18-16/h1-7H,8-9H2,(H,17,18)InChIKey
CNBNLPOZEYIYTK-UHFFFAOYSA-NSynonyms
2((1Hbenzo(d)imidazol2yl)thio)1(benzo(d)(13)dioxol5yl)ethanone
2(1Hbenzimidazol2ylsulfanyl)1(13benzodioxol5yl)ethanone
C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4N3
InChI=1SC16H12N2O3Sc1913(10561415(710)2192014)822161711312412(11)1816h17H89H2(H1718)
MFCD01926015
O=C(c1ccc2c(c1)OCO2)CSc1nc2c((nH)1)cccc2
ZINC000000226444
ZINC00226444
ZINC226444
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