Vitas-M small molecule compound
N-(2-{2-[(3,4-dimethylphenyl)amino]-4,4-dimethyl-6-oxocyclohex-1-en-1-yl}-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-methoxybenzamide
Catalog ID
STK696136
SMILES COc1cccc(c1)C(=O)NC(C(F)(F)F)(C(F)(F)F)C1=C(Nc2ccc(c(c2)C)C)CC(CC1=O)(C)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 C27H28F6N2O3 MW 542.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28F6N2O3/c1-15-9-10-18(11-16(15)2)34-20-13-24(3,4)14-21(36)22(20)25(26(28,29)30,27(31,32)33)35-23(37)17-7-6-8-19(12-17)38-5/h6-12,34H,13-14H2,1-5H3,(H,35,37)InChIKey
HRDPIDFCUQDZEX-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)NC2=C(C(=O)CC(C2)(C)C)C(C(F)(F)F)(C(F)(F)F)NC(=O)C3=CC(=CC=C3)OC)C
InChI=1SC27H28F6N2O3c11591018(1116(15)2)34201324(34)1421(36)22(20)25(26(2829)3027(3132)33)3523(37)1776819(1217)385h61234H1314H215H3(H3537)
MFCD06177106
N(2(2((34dimethylphenyl)amino)44dimethyl6oxocyclohex1en1yl)111333hexafluoropropan2yl)3methoxybenzamide
N(2(2(34dimethylanilino)44dimethyl6oxocyclohexen1yl)111333hexafluoropropan2yl)3methoxybenzamide
ZINC000098043226
ZINC98043226
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