Vitas-M small molecule compound

methyl 3-oxo-3-({2,2,2-trichloro-1-[(4-methylphenyl)amino]ethyl}amino)-2-(triphenyl-lambda~5~-phosphanylidene)propanoate

Catalog ID
STK809542
SMILES COC(=O)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)NC(C(Cl)(Cl)Cl)Nc1ccc(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 C31H28Cl3N2O3P MW 613.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28Cl3N2O3P/c1-22-18-20-23(21-19-22)35-30(31(32,33)34)36-28(37)27(29(38)39-2)40(24-12-6-3-7-13-24,25-14-8-4-9-15-25)26-16-10-5-11-17-26/h3-21,30,35H,1-2H3,(H,36,37)
InChIKey
GYZXGAGXLFNOLI-UHFFFAOYSA-N
Synonyms

CC1=CC=C(C=C1)NC(C(Cl)(Cl)Cl)NC(=O)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC
InChI=1SC31H28Cl3N2O3Pc122182023(211922)3530(31(3233)34)3628(37)27(29(38)392)40(2412637132425148491525)2616105111726h3213035H12H3(H3637)
methyl3oxo3((222trichloro1((4methylphenyl)amino)ethyl)amino)2(triphenyllambda~5~phosphanylidene)propanoate
METHYL3OXO3((222TRICHLORO1((4METHYLPHENYL)AMINO)ETHYL)AMINO)2(TRIPHENYLLAMBDA5PHOSPHANYLIDENE)PROPANOATE
METHYL3OXO3((222TRICHLORO1(4METHYLANILINO)ETHYL)AMINO)2(TRIPHENYL
methyl3oxo3((222trichloro1(4methylanilino)ethyl)amino)2(triphenyl$l^(5)phosphanylidene)propanoate
MFCD00195261
ZINC000098047020
ZINC000098047021

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.