Vitas-M small molecule compound
(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carboxamide
Catalog ID
STK993603
SMILES Clc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)Cl)C(=O)N
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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 C21H19Cl2N3O MW 400.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2N3O/c22-16-8-4-13(5-9-16)12-15-2-1-3-18-19(15)25-26(21(24)27)20(18)14-6-10-17(23)11-7-14/h4-12,18,20H,1-3H2,(H2,24,27)/b15-12+InChIKey
BERCUEVWTKEGAG-NTCAYCPXSA-NSynonyms
(7E)3(4chlorophenyl)7((4chlorophenyl)methylidene)3a456tetrahydro3Hindazole2carboxamide
(7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazole2carboxamide
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)N)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)Cl)C(=O)N
InChI=1SC21H19Cl2N3Oc22168413(5916)12152131819(15)2526(21(24)27)20(18)1461017(23)11714h4121820H13H2(H22427)b1512+
MFCD18184915
ZINC000051330107
ZINC000051330113
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