Vitas-M small molecule compound
2-{[5-(4-ethoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}-N-[4-(trifluoromethyl)benzyl]acetamide
Catalog ID
STL091425
SMILES CCOc1ccc(cc1)n1c(SCC(=O)NCc2ccc(cc2)C(F)(F)F)nc2c(c1=O)cn[nH]2
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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 C23H20F3N5O3S MW 503.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20F3N5O3S/c1-2-34-17-9-7-16(8-10-17)31-21(33)18-12-28-30-20(18)29-22(31)35-13-19(32)27-11-14-3-5-15(6-4-14)23(24,25)26/h3-10,12H,2,11,13H2,1H3,(H,27,32)(H,28,30)InChIKey
IOEYIHKYEFEFQW-UHFFFAOYSA-NSynonyms
2((5(4ethoxyphenyl)4oxo1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N((4(trifluoromethyl)phenyl)methyl)acetamide
2((5(4ethoxyphenyl)4oxo45dihydro1Hpyrazolo(34d)pyrimidin6yl)sulfanyl)N(4(trifluoromethyl)benzyl)acetamide
CCOC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC(=O)NCC4=CC=C(C=C4)C(F)(F)F
CCOc1ccc(cc1)n1c(SCC(=O)NCc2ccc(cc2)C(F)(F)F)nc2c(c1=O)cn(nH)2
InChI=1SC23H20F3N5O3Sc1234179716(81017)3121(33)1812283020(18)2922(31)351319(32)2711143515(6414)23(2425)26h31012H21113H21H3(H2732)(H2830)
MFCD18785892
ZINC000067197250
ZINC67197250
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