Vitas-M small molecule compound
1-{2-[(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-5-(naphthalen-1-yl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL175895
SMILES COc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)OC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc2c1cccc2
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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 C38H34N6O5 MW 654.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H34N6O5/c1-48-27-17-13-23(14-18-27)21-26-9-5-11-30-33(26)40-44(35(30)25-15-19-28(49-2)20-16-25)32(45)22-42-36-34(39-41-42)37(46)43(38(36)47)31-12-6-8-24-7-3-4-10-29(24)31/h3-4,6-8,10,12-21,30,34-36H,5,9,11,22H2,1-2H3/b26-21+InChIKey
QPBZIPRMOQRBMV-YYADALCUSA-NSynonyms
1025154-26-01(2((7E)7(4methoxybenzylidene)3(4methoxyphenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)5(naphthalen1yl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
1025154260
3(2((7E)3(4METHOXYPHENYL)7((4METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5NAPHTHALEN1YL3A6ADIHYDROPYRROLO(34D)TRIAZOLE46DIONE
COC1=CC=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC=C(C=C4)OC)C(=O)CN5C6C(C(=O)N(C6=O)C7=CC=CC8=CC=CC=C87)N=N5
COc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)OC)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc2c1cccc2
InChI=1SC38H34N6O5c14827171323(141827)212695113033(26)4044(35(30)25151928(492)201625)32(45)22423634(394142)37(46)43(38(36)47)311268247341029(24)31h3468101221303436H591122H212H3b2621+
MFCD03466732
ZINC000150434121
ZINC000245225820
Check stock
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