Vitas-M small molecule compound
6-{[6-ethyl-3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK425320
SMILES CCC1CCc2c(C1)sc(c2C(=O)OC)NC(=O)C1CC(=C(CC1C(=O)O)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 C22H29NO5S MW 419.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO5S/c1-5-13-6-7-14-17(10-13)29-20(18(14)22(27)28-4)23-19(24)15-8-11(2)12(3)9-16(15)21(25)26/h13,15-16H,5-10H2,1-4H3,(H,23,24)(H,25,26)InChIKey
OBBGYUYRMPRQTL-UHFFFAOYSA-NSynonyms
6((6ethyl3(methoxycarbonyl)4567tetrahydro1benzothiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
6((6ethyl3methoxycarbonyl4567tetrahydro1benzothiophen2yl)carbamoyl)34dimethylcyclohex3ene1carboxylicacid
CCC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=O)C3CC(=C(CC3C(=O)O)C)C
InChI=1SC22H29NO5Sc1513671417(1013)2920(18(14)22(27)284)2319(24)15811(2)12(3)916(15)21(25)26h131516H510H214H3(H2324)(H2526)
MFCD02375224
ZINC000005655805
ZINC000239377509
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