Vitas-M small molecule compound
1-{benzyl[2-(2,4,5-trichlorophenoxy)propanoyl]amino}-4-tert-butyl-N-(2,6-dimethylphenyl)cyclohexanecarboxamide
Catalog ID
STK372738
SMILES O=C(N(C1(CCC(CC1)C(C)(C)C)C(=O)Nc1c(C)cccc1C)Cc1ccccc1)C(Oc1cc(Cl)c(cc1Cl)Cl)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 C35H41Cl3N2O3 MW 644.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H41Cl3N2O3/c1-22-11-10-12-23(2)31(22)39-33(42)35(17-15-26(16-18-35)34(4,5)6)40(21-25-13-8-7-9-14-25)32(41)24(3)43-30-20-28(37)27(36)19-29(30)38/h7-14,19-20,24,26H,15-18,21H2,1-6H3,(H,39,42)InChIKey
OPNRLMWZFIQXIH-UHFFFAOYSA-NSynonyms
1(BENZYL(2(245TRICHLOROPHENOXY)PROPANOYL)AMINO)4TERTBUTYLN(26DIMETHYLPHENYL)CYCLOHEXANE1CARBOXAMIDE
1(benzyl(2(245trichlorophenoxy)propanoyl)amino)4tertbutylN(26dimethylphenyl)cyclohexanecarboxamide
CC1=C(C(=CC=C1)C)NC(=O)C2(CCC(CC2)C(C)(C)C)N(CC3=CC=CC=C3)C(=O)C(C)OC4=CC(=C(C=C4Cl)Cl)Cl
InChI=1SC35H41Cl3N2O3c12211101223(2)31(22)3933(42)35(171526(161835)34(45)6)40(2125138791425)32(41)24(3)43302028(37)27(36)1929(30)38h71419202426H151821H216H3(H3942)
MFCD00775221
N(4(TERTBUTYL)1(N(26DIMETHYLPHENYL)CARBAMOYL)CYCLOHEXYL)NBENZYL2(245TRICHLOROPHENOXY)PROPANAMIDE
ZINC000004091378
ZINC000004091379
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