Vitas-M small molecule compound
2-[(7E)-7-(2-chlorobenzylidene)-3-(2-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-4-methyl-1,3-thiazole-5-carboxylic acid
Catalog ID
STK993647
SMILES Clc1ccccc1C1C2CCC/C(=C\c3ccccc3Cl)/C2=NN1c1sc(c(n1)C)C(=O)O
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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 C25H21Cl2N3O2S MW 498.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21Cl2N3O2S/c1-14-23(24(31)32)33-25(28-14)30-22(17-9-3-5-12-20(17)27)18-10-6-8-16(21(18)29-30)13-15-7-2-4-11-19(15)26/h2-5,7,9,11-13,18,22H,6,8,10H2,1H3,(H,31,32)/b16-13+InChIKey
ONUOOOBDZQOZPY-DTQAZKPQSA-NSynonyms
2((7E)3(2chlorophenyl)7((2chlorophenyl)methylidene)3a456tetrahydro3Hindazol2yl)4methyl13thiazole5carboxylicacid
2((7E)7(2chlorobenzylidene)3(2chlorophenyl)33a4567hexahydro2Hindazol2yl)4methyl13thiazole5carboxylicacid
CC1=C(SC(=N1)N2C(C3CCCC(=CC4=CC=CC=C4Cl)C3=N2)C5=CC=CC=C5Cl)C(=O)O
Clc1ccccc1C1C2CCCC(=Cc3ccccc3Cl)C2=NN1c1sc(c(n1)C)C(=O)O
InChI=1SC25H21Cl2N3O2Sc11423(24(31)32)3325(2814)3022(179351220(17)27)18106816(21(18)2930)13157241119(15)26h257911131822H6810H21H3(H3132)b1613+
MFCD02725540
ZINC000051330195
ZINC000051330199
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