Vitas-M small molecule compound
methyl 4-{[(4-tert-butylphenyl)carbonyl]amino}-1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK792255
SMILES COC(=O)C1=C(C)N(C(=O)C1(NC(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F)C1CCCCC1
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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 C25H31F3N2O4 MW 480.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31F3N2O4/c1-15-19(21(32)34-5)24(25(26,27)28,22(33)30(15)18-9-7-6-8-10-18)29-20(31)16-11-13-17(14-12-16)23(2,3)4/h11-14,18H,6-10H2,1-5H3,(H,29,31)InChIKey
MHQUWJUJUHREKQ-UHFFFAOYSA-NSynonyms
CC1=C(C(C(=O)N1C2CCCCC2)(C(F)(F)F)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC
InChI=1SC25H31F3N2O4c11519(21(32)345)24(25(2627)2822(33)30(15)1897681018)2920(31)16111317(141216)23(23)4h111418H610H215H3(H2931)
methyl4(((4tertbutylphenyl)carbonyl)amino)1cyclohexyl2methyl5oxo4(trifluoromethyl)45dihydro1Hpyrrole3carboxylate
methyl4((4tertbutylbenzoyl)amino)1cyclohexyl2methyl5oxo4(trifluoromethyl)pyrrole3carboxylate
MFCD06177110
ZINC000012402678
ZINC000012402679
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