Vitas-M small molecule compound
5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK362687
SMILES CCN1C(=O)C(=Cc2cc(n(c2C)c2ccccc2C(F)(F)F)C)C(=O)N(C1=S)CC
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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 C22H22F3N3O2S MW 449.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22F3N3O2S/c1-5-26-19(29)16(20(30)27(6-2)21(26)31)12-15-11-13(3)28(14(15)4)18-10-8-7-9-17(18)22(23,24)25/h7-12H,5-6H2,1-4H3InChIKey
OQKTWFMRPBWDTB-UHFFFAOYSA-NSynonyms
5((25DIMETHYL1(2(TRIFLUOROMETHYL)PHENYL)1HPYRROL3YL)METHYLIDENE)13DIETHYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
5((25DIMETHYL1(2(TRIFLUOROMETHYL)PHENYL)PYRROL3YL)METHYLENE)13DIETHYL2THIOXO13DIHYDROPYRIMIDINE46DIONE
5((25DIMETHYL1(2(TRIFLUOROMETHYL)PHENYL)PYRROL3YL)METHYLIDENE)13DIETHYL2SULFANYLIDENE13DIAZINANE46DIONE
CCN1C(=O)C(=CC2=C(N(C(=C2)C)C3=CC=CC=C3C(F)(F)F)C)C(=O)N(C1=S)CC
InChI=1SC22H22F3N3O2Sc152619(29)16(20(30)27(62)21(26)31)12151113(3)28(14(15)4)181087917(18)22(2324)25h712H56H214H3
MFCD03081031
ZINC000004106523
ZINC04106523
ZINC4106523
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