Vitas-M small molecule compound
6-{[3-carbamoyl-4-(2,4-dichlorophenyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Catalog ID
STK471994
SMILES O=C(C1CC=CCC1C(=O)O)Nc1scc(c1C(=O)N)c1ccc(cc1Cl)Cl
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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 C19H16Cl2N2O4S MW 439.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16Cl2N2O4S/c20-9-5-6-10(14(21)7-9)13-8-28-18(15(13)16(22)24)23-17(25)11-3-1-2-4-12(11)19(26)27/h1-2,5-8,11-12H,3-4H2,(H2,22,24)(H,23,25)(H,26,27)InChIKey
NXZGRUAULRAGJW-UHFFFAOYSA-NSynonyms
6((3carbamoyl4(24dichlorophenyl)thiophen2yl)carbamoyl)cyclohex3ene1carboxylicacid
6(N(4(24DICHLOROPHENYL)3CARBAMOYL2THIENYL)CARBAMOYL)CYCLOHEX3ENECARBOXYLICACID
C1C=CCC(C1C(=O)NC2=C(C(=CS2)C3=C(C=C(C=C3)Cl)Cl)C(=O)N)C(=O)O
InChI=1SC19H16Cl2N2O4Sc2095610(14(21)79)1382818(15(13)16(22)24)2317(25)11312412(11)19(26)27h12581112H34H2(H22224)(H2325)(H2627)
MFCD06058961
ZINC000017103063
ZINC000017103068
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