Vitas-M small molecule compound
4-chloro-N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-2,6-dioxo-5-(trifluoromethyl)-2,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}benzamide
Catalog ID
STL042325
SMILES COc1cc(ccc1OC)CCn1c(=O)nc(c2c1NC(=O)C2(NC(=O)c1ccc(cc1)Cl)C(F)(F)F)O
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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 C24H20ClF3N4O6 MW 552.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20ClF3N4O6/c1-37-15-8-3-12(11-16(15)38-2)9-10-32-18-17(20(34)30-22(32)36)23(21(35)29-18,24(26,27)28)31-19(33)13-4-6-14(25)7-5-13/h3-8,11H,9-10H2,1-2H3,(H,29,35)(H,31,33)(H,30,34,36)InChIKey
XUEJLMHUAJFCOG-UHFFFAOYSA-NSynonyms
4CHLORON(1(2(34DIMETHOXYPHENYL)ETHYL)246TRIOXO5(TRIFLUOROMETHYL)7HPYRROLO(23D)PYRIMIDIN5YL)BENZAMIDE
4chloroN(1(2(34dimethoxyphenyl)ethyl)4hydroxy26dioxo5(trifluoromethyl)2567tetrahydro1Hpyrrolo(23d)pyrimidin5yl)benzamide
COC1=C(C=C(C=C1)CCN2C3=C(C(=O)NC2=O)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=C(C=C4)Cl)OC
InChI=1SC24H20ClF3N4O6c137158312(1116(15)382)910321817(20(34)3022(32)36)23(21(35)291824(2627)28)3119(33)134614(25)7513h3811H910H212H3(H2935)(H3133)(H303436)
MFCD05737835
ZINC000002594057
ZINC000002594058
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