Vitas-M small molecule compound
6-{[5-ethyl-3-(methoxycarbonyl)-4-phenylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK471746
SMILES COC(=O)c1c(NC(=O)C2CC=CCC2C(=O)O)sc(c1c1ccccc1)CC
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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 C22H23NO5S MW 413.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO5S/c1-3-16-17(13-9-5-4-6-10-13)18(22(27)28-2)20(29-16)23-19(24)14-11-7-8-12-15(14)21(25)26/h4-10,14-15H,3,11-12H2,1-2H3,(H,23,24)(H,25,26)InChIKey
AZXXACRFODKSTR-UHFFFAOYSA-NSynonyms
6((5ethyl3(methoxycarbonyl)4phenylthiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6((5ethyl3methoxycarbonyl4phenylthiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6(N(5ETHYL3(METHOXYCARBONYL)4PHENYL2THIENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CCC1=C(C(=C(S1)NC(=O)C2CC=CCC2C(=O)O)C(=O)OC)C3=CC=CC=C3
InChI=1SC22H23NO5Sc131617(1395461013)18(22(27)282)20(2916)2319(24)1411781215(14)21(25)26h4101415H31112H212H3(H2324)(H2526)
MFCD06025794
ZINC000017089572
ZINC000017089575
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