Vitas-M small molecule compound
1-{2-[(7E)-7-benzylidene-3-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(2,6-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL175903
SMILES O=C(N1N=C2C(C1c1ccccc1)CCC/C/2=C\c1ccccc1)CN1N=NC2C1C(=O)N(C2=O)c1c(C)cccc1C
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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 C34H32N6O3 MW 572.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32N6O3/c1-21-11-9-12-22(2)30(21)39-33(42)29-32(34(39)43)38(37-35-29)20-27(41)40-31(24-15-7-4-8-16-24)26-18-10-17-25(28(26)36-40)19-23-13-5-3-6-14-23/h3-9,11-16,19,26,29,31-32H,10,17-18,20H2,1-2H3/b25-19+InChIKey
SIHCFOWGAZVRBA-NCELDCMTSA-NSynonyms
1024715-22-71(2((7E)7benzylidene3phenyl33a4567hexahydro2Hindazol2yl)2oxoethyl)5(26dimethylphenyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1024715227
3(2((7E)7BENZYLIDENE3PHENYL3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5(26DIMETHYLPHENYL)3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
CC1=C(C(=CC=C1)C)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)N4C(C5CCCC(=CC6=CC=CC=C6)C5=N4)C7=CC=CC=C7
InChI=1SC34H32N6O3c1211191222(2)30(21)3933(42)2932(34(39)43)38(373529)2027(41)4031(24157481624)2618101725(28(26)3640)1923135361423h3911161926293132H10171820H212H3b2519+
MFCD03466729
O=C(N1N=C2C(C1c1ccccc1)CCCC2=Cc1ccccc1)CN1N=NC2C1C(=O)N(C2=O)c1c(C)cccc1C
ZINC000105440619
ZINC000245238524
Check stock
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