Vitas-M small molecule compound

2-{[6-tert-butyl-3-(cyclopropylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclohexanecarboxylic acid

Catalog ID
STK470751
SMILES O=C(C1CCCCC1C(=O)O)Nc1sc2c(c1C(=O)NC1CC1)CCC(C2)C(C)(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 C24H34N2O4S MW 446.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H34N2O4S/c1-24(2,3)13-8-11-17-18(12-13)31-22(19(17)21(28)25-14-9-10-14)26-20(27)15-6-4-5-7-16(15)23(29)30/h13-16H,4-12H2,1-3H3,(H,25,28)(H,26,27)(H,29,30)
InChIKey
KOWNRXAXXUDPOP-UHFFFAOYSA-N
Synonyms

2((6tertbutyl3(cyclopropylcarbamoyl)4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohexane1carboxylicacid
2((6tertbutyl3(cyclopropylcarbamoyl)4567tetrahydro1benzothiophen2yl)carbamoyl)cyclohexanecarboxylicacid
CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NC3CC3)NC(=O)C4CCCCC4C(=O)O
InChI=1SC24H34N2O4Sc124(23)138111718(1213)3122(19(17)21(28)251491014)2620(27)15645716(15)23(29)30h1316H412H213H3(H2528)(H2627)(H2930)
MFCD06021841
ZINC000019645100
ZINC000245227593

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Available files

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