Vitas-M small molecule compound
4-tert-butyl-N-(2,6-dimethylphenyl)-1-{methyl[2-(2,4,5-trichlorophenoxy)propanoyl]amino}cyclohexanecarboxamide
Catalog ID
STK048697
SMILES O=C(N(C1(CCC(CC1)C(C)(C)C)C(=O)Nc1c(C)cccc1C)C)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 C29H37Cl3N2O3 MW 567.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37Cl3N2O3/c1-17-9-8-10-18(2)25(17)33-27(36)29(13-11-20(12-14-29)28(4,5)6)34(7)26(35)19(3)37-24-16-22(31)21(30)15-23(24)32/h8-10,15-16,19-20H,11-14H2,1-7H3,(H,33,36)InChIKey
JVVDUZKFNSMBNI-UHFFFAOYSA-NSynonyms
4TERTBUTYLN(26DIMETHYLPHENYL)1(METHYL(2(245TRICHLOROPHENOXY)PROPANOYL)AMINO)CYCLOHEXANE1CARBOXAMIDE
4TERTBUTYLN(26DIMETHYLPHENYL)1(METHYL(2(245TRICHLOROPHENOXY)PROPANOYL)AMINO)CYCLOHEXANECARBOXAMIDE
CC1=C(C(=CC=C1)C)NC(=O)C2(CCC(CC2)C(C)(C)C)N(C)C(=O)C(C)OC3=CC(=C(C=C3Cl)Cl)Cl
InChI=1SC29H37Cl3N2O3c117981018(2)25(17)3327(36)29(131120(121429)28(45)6)34(7)26(35)19(3)37241622(31)21(30)1523(24)32h81015161920H1114H217H3(H3336)
MFCD00993704
O=C(N(C1(CCC(CC1)C(C)(C)C)C(=O)Nc1c(C)cccc1C)C)C(Oc1cc(Cl)c(cc1Cl)Cl)C
STK048697
ZINC000097997816
ZINC000097997817
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