Vitas-M small molecule compound
6-{[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK428705
SMILES N#Cc1c(NC(=O)C2CC=CCC2C(=O)O)sc(c1c1ccc(cc1)OC)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 C21H20N2O4S MW 396.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O4S/c1-12-18(13-7-9-14(27-2)10-8-13)17(11-22)20(28-12)23-19(24)15-5-3-4-6-16(15)21(25)26/h3-4,7-10,15-16H,5-6H2,1-2H3,(H,23,24)(H,25,26)InChIKey
RZEIRNPXDMZOMK-UHFFFAOYSA-NSynonyms
6((3cyano4(4methoxyphenyl)5methylthiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6(N(3CYANO4(4METHOXYPHENYL)5METHYL2THIENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CC1=C(C(=C(S1)NC(=O)C2CC=CCC2C(=O)O)C#N)C3=CC=C(C=C3)OC
InChI=1SC21H20N2O4Sc11218(137914(272)10813)17(1122)20(2812)2319(24)15534616(15)21(25)26h347101516H56H212H3(H2324)(H2526)
MFCD03233596
ZINC000002794877
ZINC000002794880
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