Vitas-M small molecule compound
diethyl 5-[(4-{[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanoyl)amino]-3-methylthiophene-2,4-dicarboxylate
Catalog ID
STK340368
SMILES CCOC(=O)c1c(NC(=O)CCCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)c2ccc(c(c2)OC)OC)sc(c1C)C(=O)OCC
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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 C28H30F3N3O9S2 MW 673.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30F3N3O9S2/c1-6-42-25(36)22-15(3)23(26(37)43-7-2)44-24(22)34-21(35)9-8-12-45(38,39)27-32-17(14-20(33-27)28(29,30)31)16-10-11-18(40-4)19(13-16)41-5/h10-11,13-14H,6-9,12H2,1-5H3,(H,34,35)InChIKey
ZXGXPPCNOUZNNO-UHFFFAOYSA-NSynonyms
725694-94-0725694940
CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC(=C(C=C3)OC)OC
diethyl5((4((4(34dimethoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonyl)butanoyl)amino)3methylthiophene24dicarboxylate
diethyl5(4(4(34dimethoxyphenyl)6(trifluoromethyl)pyrimidin2yl)sulfonylbutanoylamino)3methylthiophene24dicarboxylate
ETHYL2(4((4(34DIMETHOXYPHENYL)6(TRIFLUOROMETHYL)PYRIMIDIN2YL)SULFONYL)BUTANOYLAMINO)5(ETHOXYCARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
InChI=1SC28H30F3N3O9S2c164225(36)2215(3)23(26(37)4372)4424(22)3421(35)981245(3839)273217(1420(3327)28(2930)31)16101118(404)19(1316)415h10111314H6912H215H3(H3435)
MFCD06164208
ZINC000098043165
ZINC98043165
Check stock
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Check stock on Vitas-MAvailable files
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