Vitas-M small molecule compound
N-{3-[3-acetyl-5-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}-2-methylbenzamide
Catalog ID
STK510750
SMILES COc1cc(ccc1OC)C1N(N=C(N1c1cccc(c1)NC(=O)c1ccccc1C)C(=O)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 C33H32N4O4 MW 548.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32N4O4/c1-21-13-16-26(17-14-21)37-33(24-15-18-29(40-4)30(19-24)41-5)36(31(35-37)23(3)38)27-11-8-10-25(20-27)34-32(39)28-12-7-6-9-22(28)2/h6-20,33H,1-5H3,(H,34,39)InChIKey
MDCDBKIPHDNAGV-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)N2C(N(C(=N2)C(=O)C)C3=CC(=CC=C3)NC(=O)C4=CC=CC=C4C)C5=CC(=C(C=C5)OC)OC
InChI=1SC33H32N4O4c121131626(171421)3733(24151829(404)30(1924)415)36(31(3537)23(3)38)271181025(2027)3432(39)281276922(28)2h62033H15H3(H3439)
MFCD02623403
N(3(3acetyl5(34dimethoxyphenyl)1(4methylphenyl)15dihydro4H124triazol4yl)phenyl)2methylbenzamide
N(3(5ACETYL3(34DIMETHOXYPHENYL)2(4METHYLPHENYL)3H124TRIAZOL4YL)PHENYL)2METHYLBENZAMIDE
ZINC000100384348
ZINC000100384352
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