Vitas-M small molecule compound

5-(2-methoxyphenyl)-1-{2-[(7Z)-7-(4-methylbenzylidene)-3-(4-methylphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione

Catalog ID
STL168540
SMILES COc1ccccc1N1C(=O)C2C(C1=O)N=NN2CC(=O)N1N=C2C(C1c1ccc(cc1)C)CCC/C/2=C/c1ccc(cc1)C

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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 C35H34N6O4 MW 602.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H34N6O4/c1-21-11-15-23(16-12-21)19-25-7-6-8-26-30(25)37-41(32(26)24-17-13-22(2)14-18-24)29(42)20-39-33-31(36-38-39)34(43)40(35(33)44)27-9-4-5-10-28(27)45-3/h4-5,9-19,26,31-33H,6-8,20H2,1-3H3/b25-19-
InChIKey
ZWYOCHKKJQRMLA-PLRJNAJWSA-N
Synonyms

5(2methoxyphenyl)1(2((7Z)7(4methylbenzylidene)3(4methylphenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
5(2METHOXYPHENYL)3(2((7Z)3(4METHYLPHENYL)7((4METHYLPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)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=CC=CC=C7OC)N=N5
COc1ccccc1N1C(=O)C2C(C1=O)N=NN2CC(=O)N1N=C2C(C1c1ccc(cc1)C)CCCC2=Cc1ccc(cc1)C
InChI=1SC35H34N6O4c121111523(161221)19257682630(25)3741(32(26)24171322(2)141824)29(42)20393331(363839)34(43)40(35(33)44)279451028(27)453h45919263133H6820H213H3b2519
MFCD20732279
ZINC000107987484
ZINC000245254059

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Available files

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