Vitas-M small molecule compound
(2-chlorophenyl)[(7E)-7-(3,4-dimethoxybenzylidene)-3-(3,4-dimethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STK077580
SMILES COc1ccc(cc1OC)/C=C/1\CCCC2C1=NN(C2c1ccc(c(c1)OC)OC)C(=O)c1ccccc1Cl
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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 C31H31ClN2O5 MW 547.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31ClN2O5/c1-36-25-14-12-19(17-27(25)38-3)16-20-8-7-10-23-29(20)33-34(31(35)22-9-5-6-11-24(22)32)30(23)21-13-15-26(37-2)28(18-21)39-4/h5-6,9,11-18,23,30H,7-8,10H2,1-4H3/b20-16+InChIKey
AOHFRZOWVZPRJZ-CAPFRKAQSA-NSynonyms
(2CHLOROPHENYL)((7E)3(34DIMETHOXYPHENYL)7((34DIMETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
(2chlorophenyl)((7E)7(34dimethoxybenzylidene)3(34dimethoxyphenyl)33a4567hexahydro2Hindazol2yl)methanone
COC1=C(C=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC(=C(C=C4)OC)OC)C(=O)C5=CC=CC=C5Cl)OC
COc1ccc(cc1OC)C=C1CCCC2C1=NN(C2c1ccc(c(c1)OC)OC)C(=O)c1ccccc1Cl
InChI=1SC31H31ClN2O5c13625141219(1727(25)383)162087102329(20)3334(31(35)229561124(22)32)30(23)21131526(372)28(1821)394h56911182330H7810H214H3b2016+
MFCD01627209
STK077580
ZINC000097959032
ZINC000097959035
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