Vitas-M small molecule compound
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-ethylbenzyl)-3,5,6-trimethyl-1-benzofuran-2-carboxamide
Catalog ID
STK515775
SMILES CCc1ccc(cc1)CN(C(=O)c1oc2c(c1C)cc(c(c2)C)C)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 C25H29NO4S MW 439.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO4S/c1-5-19-6-8-20(9-7-19)14-26(21-10-11-31(28,29)15-21)25(27)24-18(4)22-12-16(2)17(3)13-23(22)30-24/h6-9,12-13,21H,5,10-11,14-15H2,1-4H3InChIKey
BBMJCHDSJQCXQB-UHFFFAOYSA-NSynonyms
622350-26-9622350269
CCC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=C(C4=CC(=C(C=C4O3)C)C)C
InChI=1SC25H29NO4Sc15196820(9719)1426(21101131(2829)1521)25(27)2418(4)221216(2)17(3)1323(22)3024h69121321H510111415H214H3
MFCD06289022
N(11dioxidotetrahydrothiophen3yl)N(4ethylbenzyl)356trimethyl1benzofuran2carboxamide
N(11DIOXOTHIOLAN3YL)N((4ETHYLPHENYL)METHYL)356TRIMETHYL1BENZOFURAN2CARBOXAMIDE
ZINC000016742016
ZINC000016742017
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