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-(naphthalen-1-yl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Catalog ID
STL168539
SMILES Cc1ccc(cc1)C1N(N=C2C1CCC/C/2=C/c1ccc(cc1)C)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 C38H34N6O3 MW 622.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H34N6O3/c1-23-13-17-25(18-14-23)21-28-9-5-11-30-33(28)40-44(35(30)27-19-15-24(2)16-20-27)32(45)22-42-36-34(39-41-42)37(46)43(38(36)47)31-12-6-8-26-7-3-4-10-29(26)31/h3-4,6-8,10,12-21,30,34-36H,5,9,11,22H2,1-2H3/b28-21-InChIKey
CQTCUVUJTDZYMC-HFTWOUSFSA-NSynonyms
1(2((7Z)7(4methylbenzylidene)3(4methylphenyl)33a4567hexahydro2Hindazol2yl)2oxoethyl)5(naphthalen1yl)3a6adihydropyrrolo(34d)(123)triazole46(1H5H)dione
3(2((7Z)3(4METHYLPHENYL)7((4METHYLPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2OXOETHYL)5NAPHTHALEN1YL3A6ADIHYDROPYRROLO(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=CC8=CC=CC=C87)N=N5
Cc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)C)C(=O)CN1N=NC2C1C(=O)N(C2=O)c1cccc2c1cccc2
InChI=1SC38H34N6O3c123131725(181423)212895113033(28)4044(35(30)27191524(2)162027)32(45)22423634(394142)37(46)43(38(36)47)311268267341029(26)31h3468101221303436H591122H212H3b2821
MFCD20732278
ZINC000097971076
ZINC000250972557
Check stock
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