Vitas-M small molecule compound
(5Z)-5-({2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}methylidene)-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187198
SMILES C=CCN1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2ccccc2C(F)(F)F)C)/C1=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 C21H18F3N3O2S MW 433.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F3N3O2S/c1-4-9-26-19(29)15(18(28)25-20(26)30)11-14-10-12(2)27(13(14)3)17-8-6-5-7-16(17)21(22,23)24/h4-8,10-11H,1,9H2,2-3H3,(H,25,28,30)/b15-11-InChIKey
KEDPAUDBRYELEF-PTNGSMBKSA-NSynonyms
(5Z)5((25DIMETHYL1(2(TRIFLUOROMETHYL)PHENYL)1HPYRROL3YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((25DIMETHYL1(2(TRIFLUOROMETHYL)PHENYL)PYRROL3YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
C=CCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccccc2C(F)(F)F)C)C1=O
CC1=CC(=C(N1C2=CC=CC=C2C(F)(F)F)C)C=C3C(=O)NC(=S)N(C3=O)CC=C
InChI=1SC21H18F3N3O2Sc1492619(29)15(18(28)2520(26)30)11141012(2)27(13(14)3)17865716(17)21(2223)24h481011H19H223H3(H252830)b1511
MFCD03706969
ZINC000001153037
ZINC01153037
ZINC1153037
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