Vitas-M small molecule compound
1-{2-[(7Z)-7-(4-methylbenzylidene)-3-(4-methylphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(2,3,5,6-tetrafluorophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL168541
SMILES Cc1ccc(cc1)C1N(N=C2C1CCC/C/2=C/c1ccc(cc1)C)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1c(F)c(F)cc(c1F)F
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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 C34H28F4N6O3 MW 644.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H28F4N6O3/c1-17-6-10-19(11-7-17)14-21-4-3-5-22-28(21)40-44(30(22)20-12-8-18(2)9-13-20)25(45)16-42-32-29(39-41-42)33(46)43(34(32)47)31-26(37)23(35)15-24(36)27(31)38/h6-15,22,29-30,32H,3-5,16H2,1-2H3/b21-14-InChIKey
UQJSJPUSMCIRBI-STZFKDTASA-NSynonyms
1(2((7Z)7(4methylbenzylidene)3(4methylphenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)5(2356tetrafluorophenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
3(2((7Z)3(4methylphenyl)7((4methylphenyl)methylidene)3a456tetrahydro3Hindazol2yl)2oxoethyl)5(2356tetrafluorophenyl)3a6adihydropyrrolo(34d)triazole46dione
CC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)C)C(=O)CN5C6C(C(=O)N(C6=O)C7=C(C(=CC(=C7F)F)F)F)N=N5
Cc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)C)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1c(F)c(F)cc(c1F)F
InChI=1SC34H28F4N6O3c11761019(11717)14214352228(21)4044(30(22)2012818(2)91320)25(45)16423229(394142)33(46)43(34(32)47)3126(37)23(35)1524(36)27(31)38h61522293032H3516H212H3b2114
MFCD20732280
ZINC000097971084
ZINC000245253946
Check stock
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