Vitas-M small molecule compound
N-(4-chlorophenyl)-3-{[(7E)-7-(2-methoxybenzylidene)-3-(2-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]carbonyl}benzenesulfonamide
Catalog ID
STK889203
SMILES COc1ccccc1C1C2CCC/C(=C\c3ccccc3OC)/C2=NN1C(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)Cl
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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 C35H32ClN3O5S MW 642.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H32ClN3O5S/c1-43-31-15-5-3-9-23(31)21-24-10-8-14-30-33(24)37-39(34(30)29-13-4-6-16-32(29)44-2)35(40)25-11-7-12-28(22-25)45(41,42)38-27-19-17-26(36)18-20-27/h3-7,9,11-13,15-22,30,34,38H,8,10,14H2,1-2H3/b24-21+InChIKey
OBAGIZSCDAIYAK-DARPEHSRSA-NSynonyms
COC1=CC=CC=C1C=C2CCCC3C2=NN(C3C4=CC=CC=C4OC)C(=O)C5=CC(=CC=C5)S(=O)(=O)NC6=CC=C(C=C6)Cl
COc1ccccc1C1C2CCCC(=Cc3ccccc3OC)C2=NN1C(=O)c1cccc(c1)S(=O)(=O)Nc1ccc(cc1)Cl
InChI=1SC35H32ClN3O5Sc143311553923(31)2124108143033(24)3739(34(30)2913461632(29)442)35(40)251171228(2225)45(4142)3827191726(36)182027h37911131522303438H81014H212H3b2421+
MFCD02702581
N(4chlorophenyl)3(((7E)7(2methoxybenzylidene)3(2methoxyphenyl)33a4567hexahydro2Hindazol2yl)carbonyl)benzenesulfonamide
N(4CHLOROPHENYL)3((7E)3(2METHOXYPHENYL)7((2METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOLE2CARBONYL)BENZENESULFONAMIDE
ZINC000097965185
ZINC000097965188
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