Vitas-M small molecule compound
6-{[3-(cyclopentylcarbamoyl)-4,5-dimethylthiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK471233
SMILES O=C(C1CC(=C(CC1C(=O)O)C)C)Nc1sc(c(c1C(=O)NC1CCCC1)C)C
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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 C22H30N2O4S MW 418.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30N2O4S/c1-11-9-16(17(22(27)28)10-12(11)2)19(25)24-21-18(13(3)14(4)29-21)20(26)23-15-7-5-6-8-15/h15-17H,5-10H2,1-4H3,(H,23,26)(H,24,25)(H,27,28)InChIKey
QXLUNPBXHJHJLW-UHFFFAOYSA-NSynonyms
6((3(cyclopentylcarbamoyl)45dimethylthiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6(N(3(NCYCLOPENTYLCARBAMOYL)45DIMETHYL(2THIENYL))CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NC2=C(C(=C(S2)C)C)C(=O)NC3CCCC3)C(=O)O)C
InChI=1SC22H30N2O4Sc111916(17(22(27)28)1012(11)2)19(25)242118(13(3)14(4)2921)20(26)2315756815h1517H510H214H3(H2326)(H2425)(H2728)
MFCD06025340
ZINC000017091510
ZINC000017091513
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