Vitas-M small molecule compound
[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](4-methyl-1,3-thiazol-5-yl)methanone
Catalog ID
STL176107
SMILES Clc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)Cl)C(=O)c1scnc1C
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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 C25H21Cl2N3OS MW 482.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2N3OS/c1-15-24(32-14-28-15)25(31)30-23(17-7-11-20(27)12-8-17)21-4-2-3-18(22(21)29-30)13-16-5-9-19(26)10-6-16/h5-14,21,23H,2-4H2,1H3/b18-13+InChIKey
DTXFEEUVMGCCRQ-QGOAFFKASA-NSynonyms
512817-67-3((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(4METHYL13THIAZOL5YL)METHANONE
((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)(4methyl13thiazol5yl)methanone
512817673
CC1=C(SC=N1)C(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)Cl)C3=N2)C5=CC=C(C=C5)Cl
Clc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)Cl)C(=O)c1scnc1C
InChI=1SC25H21Cl2N3OSc11524(32142815)25(31)3023(1771120(27)12817)2142318(22(21)2930)13165919(26)10616h5142123H24H21H3b1813+
MFCD03468120
ZINC000008455348
ZINC000008455351
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