Vitas-M small molecule compound
2-{[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]carbonyl}benzoic acid
Catalog ID
STK090727
SMILES Clc1ccc(cc1)/C=C/1\CCCC2C1=NN(C2c1ccc(cc1)Cl)C(=O)c1ccccc1C(=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 C28H22Cl2N2O3 MW 505.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22Cl2N2O3/c29-20-12-8-17(9-13-20)16-19-4-3-7-24-25(19)31-32(26(24)18-10-14-21(30)15-11-18)27(33)22-5-1-2-6-23(22)28(34)35/h1-2,5-6,8-16,24,26H,3-4,7H2,(H,34,35)/b19-16+InChIKey
WNAAXJRDCVUHOF-KNTRCKAVSA-NSynonyms
326866-15-32(((7E)7(4chlorobenzylidene)3(4chlorophenyl)33a4567hexahydro2Hindazol2yl)carbonyl)benzoicacid
2((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOLE2CARBONYL)BENZOICACID
326866153
C1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)C4=CC=CC=C4C(=O)O)C5=CC=C(C=C5)Cl
Clc1ccc(cc1)C=C1CCCC2C1=NN(C2c1ccc(cc1)Cl)C(=O)c1ccccc1C(=O)O
InChI=1SC28H22Cl2N2O3c292012817(91320)16194372425(19)3132(26(24)18101421(30)151118)27(33)22512623(22)28(34)35h12568162426H347H2(H3435)b1916+
MFCD01627299
STK090727
ZINC000009731026
ZINC000012350111
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