Vitas-M small molecule compound
[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-5-methyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](3,4,5-trimethoxyphenyl)methanone
Catalog ID
STK889218
SMILES COc1cc(cc(c1OC)OC)C(=O)N1N=C2C(C1c1ccc(cc1)Cl)CC(C/C/2=C\c1ccc(cc1)Cl)C
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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 C31H30Cl2N2O4 MW 565.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H30Cl2N2O4/c1-18-13-21(15-19-5-9-23(32)10-6-19)28-25(14-18)29(20-7-11-24(33)12-8-20)35(34-28)31(36)22-16-26(37-2)30(39-4)27(17-22)38-3/h5-12,15-18,25,29H,13-14H2,1-4H3/b21-15+InChIKey
WKLIZYRLTYJXDN-RCCKNPSSSA-NSynonyms
((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)5METHYL3A456TETRAHYDRO3HINDAZOL2YL)(345TRIMETHOXYPHENYL)METHANONE
((7E)7(4chlorobenzylidene)3(4chlorophenyl)5methyl33a4567hexahydro2Hindazol2yl)(345trimethoxyphenyl)methanone
CC1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)C5=CC=C(C=C5)Cl
COc1cc(cc(c1OC)OC)C(=O)N1N=C2C(C1c1ccc(cc1)Cl)CC(CC2=Cc1ccc(cc1)Cl)C
InChI=1SC31H30Cl2N2O4c1181321(15195923(32)10619)2825(1418)29(2071124(33)12820)35(3428)31(36)221626(372)30(394)27(1722)383h51215182529H1314H214H3b2115+
MFCD02705090
ZINC000097965207
ZINC000245380951
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