Vitas-M small molecule compound
2-methoxy-4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 2-chloro-4,5-difluorobenzoate
Catalog ID
STK756541
SMILES COc1cc(ccc1OC(=O)c1cc(F)c(cc1Cl)F)C=C1C(=O)NC(=O)NC1=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 C19H11ClF2N2O6 MW 436.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H11ClF2N2O6/c1-29-15-5-8(4-10-16(25)23-19(28)24-17(10)26)2-3-14(15)30-18(27)9-6-12(21)13(22)7-11(9)20/h2-7H,1H3,(H2,23,24,25,26,28)InChIKey
HTKRAUNYCJTFII-UHFFFAOYSA-NSynonyms
(2METHOXY4((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)2CHLORO45DIFLUOROBENZOATE
2methoxy4((246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenyl2chloro45difluorobenzoate
COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)NC2=O)OC(=O)C3=CC(=C(C=C3Cl)F)F
InChI=1SC19H11ClF2N2O6c1291558(41016(25)2319(28)2417(10)26)2314(15)3018(27)9612(21)13(22)711(9)20h27H1H3(H22324252628)
MFCD01029695
ZINC000001032032
ZINC01032032
ZINC1032032
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