Vitas-M small molecule compound
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-3,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
Catalog ID
STK882346
SMILES O=C(c1oc2c(c1C)cc(c(c2)C)Cl)N(C1CCS(=O)(=O)C1)Cc1sccc1C
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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 C21H22ClNO4S2 MW 451.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClNO4S2/c1-12-4-6-28-19(12)10-23(15-5-7-29(25,26)11-15)21(24)20-14(3)16-9-17(22)13(2)8-18(16)27-20/h4,6,8-9,15H,5,7,10-11H2,1-3H3InChIKey
AALABTZGGCNCGP-UHFFFAOYSA-NSynonyms
879949-81-25chloroN(11dioxidotetrahydrothiophen3yl)36dimethylN((3methylthiophen2yl)methyl)1benzofuran2carboxamide
5chloroN(11dioxothiolan3yl)36dimethylN((3methylthiophen2yl)methyl)1benzofuran2carboxamide
879949812
CC1=C(SC=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=C(C4=CC(=C(C=C4O3)C)Cl)C
InChI=1SC21H22ClNO4S2c112462819(12)1023(155729(2526)1115)21(24)2014(3)16917(22)13(2)818(16)2720h468915H571011H213H3
MFCD06646136
ZINC000009431308
ZINC000009431311
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