Vitas-M small molecule compound
6-({2-[(3,4-dichloro-1-benzothiophen-2-yl)carbonyl]hydrazinyl}carbonyl)-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
Catalog ID
STK426068
SMILES O=C(C1CC(=C(CC1C(=O)O)C)C)NNC(=O)c1sc2c(c1Cl)c(Cl)ccc2
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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 C19H18Cl2N2O4S MW 441.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18Cl2N2O4S/c1-8-6-10(11(19(26)27)7-9(8)2)17(24)22-23-18(25)16-15(21)14-12(20)4-3-5-13(14)28-16/h3-5,10-11H,6-7H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)InChIKey
XKEWDAHNDGQHFJ-UHFFFAOYSA-NSynonyms
6(((34DICHLORO1BENZOTHIOPHENE2CARBONYL)AMINO)CARBAMOYL)34DIMETHYLCYCLOHEX3ENE1CARBOXYLICACID
6((2((34dichloro1benzothiophen2yl)carbonyl)hydrazinyl)carbonyl)34dimethylcyclohex3ene1carboxylicacid
6(N((34DICHLOROBENZO(B)THIOPHEN2YL)CARBONYLAMINO)CARBAMOYL)34DIMETHYLCYCLOHEX3ENECARBOXYLICACID
CC1=C(CC(C(C1)C(=O)NNC(=O)C2=C(C3=C(S2)C=CC=C3Cl)Cl)C(=O)O)C
InChI=1SC19H18Cl2N2O4Sc18610(11(19(26)27)79(8)2)17(24)222318(25)1615(21)1412(20)43513(14)2816h351011H67H212H3(H2224)(H2325)(H2627)
MFCD02609503
ZINC000002801829
ZINC000002801832
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