Vitas-M small molecule compound
(2E)-1-[(7E)-7-(4-chlorobenzylidene)-3-(4-chlorophenyl)-5-methyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-3-(furan-2-yl)prop-2-en-1-one
Catalog ID
STK889247
SMILES CC1C/C(=C\c2ccc(cc2)Cl)/C2=NN(C(C2C1)c1ccc(cc1)Cl)C(=O)/C=C/c1ccco1
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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 C28H24Cl2N2O2 MW 491.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H24Cl2N2O2/c1-18-15-21(17-19-4-8-22(29)9-5-19)27-25(16-18)28(20-6-10-23(30)11-7-20)32(31-27)26(33)13-12-24-3-2-14-34-24/h2-14,17-18,25,28H,15-16H2,1H3/b13-12+,21-17+InChIKey
MYVVCVIUXNOTSY-SQWDPEPJSA-NSynonyms
(2E)1((7E)7(4chlorobenzylidene)3(4chlorophenyl)5methyl33a4567hexahydro2Hindazol2yl)3(furan2yl)prop2en1one
(E)1((7E)3(4CHLOROPHENYL)7((4CHLOROPHENYL)METHYLIDENE)5METHYL3A456TETRAHYDRO3HINDAZOL2YL)3(FURAN2YL)PROP2EN1ONE
CC1CC(=Cc2ccc(cc2)Cl)C2=NN(C(C2C1)c1ccc(cc1)Cl)C(=O)C=Cc1ccco1
CC1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)C=CC4=CC=CO4)C5=CC=C(C=C5)Cl
InChI=1SC28H24Cl2N2O2c1181521(17194822(29)9519)2725(1618)28(2061023(30)11720)32(3127)26(33)13122432143424h21417182528H1516H21H3b1312+2117+
MFCD02703352
ZINC000040487509
ZINC000059334494
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