Vitas-M small molecule compound
6-{[3-cyano-4-(2,4-dichlorophenyl)-5-methylthiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK442266
SMILES N#Cc1c(NC(=O)C2CC=CCC2C(=O)O)sc(c1c1ccc(cc1Cl)Cl)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 C20H16Cl2N2O3S MW 435.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16Cl2N2O3S/c1-10-17(14-7-6-11(21)8-16(14)22)15(9-23)19(28-10)24-18(25)12-4-2-3-5-13(12)20(26)27/h2-3,6-8,12-13H,4-5H2,1H3,(H,24,25)(H,26,27)InChIKey
LABFJWDUONOHER-UHFFFAOYSA-NSynonyms
6((3cyano4(24dichlorophenyl)5methylthiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6(N(4(24DICHLOROPHENYL)3CYANO5METHYL2THIENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
CC1=C(C(=C(S1)NC(=O)C2CC=CCC2C(=O)O)C#N)C3=C(C=C(C=C3)Cl)Cl
InChI=1SC20H16Cl2N2O3Sc11017(147611(21)816(14)22)15(923)19(2810)2418(25)12423513(12)20(26)27h23681213H45H21H3(H2425)(H2627)
MFCD02245130
ZINC000002769883
ZINC000002769886
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