Vitas-M small molecule compound
5-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(3-methoxybenzyl)-3-methyl-1-benzofuran-2-carboxamide
Catalog ID
STK908536
SMILES COc1cccc(c1)CN(C(=O)c1oc2c(c1C)cc(cc2)Cl)C1CCS(=O)(=O)C1
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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 C22H22ClNO5S MW 447.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClNO5S/c1-14-19-11-16(23)6-7-20(19)29-21(14)22(25)24(17-8-9-30(26,27)13-17)12-15-4-3-5-18(10-15)28-2/h3-7,10-11,17H,8-9,12-13H2,1-2H3InChIKey
PCXIKGLBOXGAHE-UHFFFAOYSA-NSynonyms
5chloroN(11dioxidotetrahydrothiophen3yl)N(3methoxybenzyl)3methyl1benzofuran2carboxamide
5chloroN(11dioxothiolan3yl)N((3methoxyphenyl)methyl)3methyl1benzofuran2carboxamide
CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)N(CC3=CC(=CC=C3)OC)C4CCS(=O)(=O)C4
InChI=1SC22H22ClNO5Sc114191116(23)6720(19)2921(14)22(25)24(178930(2627)1317)121543518(1015)282h37101117H891213H212H3
MFCD06647892
ZINC000016752781
ZINC000016752784
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