Vitas-M small molecule compound
(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazole-2-carbothioamide
Catalog ID
STK830354
SMILES Clc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)Cl)C(=S)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 C21H19Cl2N3S MW 416.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Cl2N3S/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
NKXGLIKNWMXKHX-NTCAYCPXSA-NSynonyms
313648-74-7(7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOLE2CARBOTHIOAMIDE
(7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazole2carbothioamide
(E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazole2carbothioamide
313648747
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=S)N)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)Cl)C(=S)N
InChI=1SC21H19Cl2N3Sc22168413(5916)12152131819(15)2526(21(24)27)20(18)1461017(23)11714h4121820H13H2(H22427)b1512+
MFCD00722262
ZINC000004256403
ZINC000004256406
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