Vitas-M small molecule compound
2-chloro-4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-methoxybenzoate
Catalog ID
STK899322
SMILES COc1ccc(cc1)C(=O)Oc1ccc(cc1Cl)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 C19H13ClN2O6 MW 400.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13ClN2O6/c1-27-12-5-3-11(4-6-12)18(25)28-15-7-2-10(9-14(15)20)8-13-16(23)21-19(26)22-17(13)24/h2-9H,1H3,(H2,21,22,23,24,26)InChIKey
YIJUKYJSZMJVPY-UHFFFAOYSA-NSynonyms
(2CHLORO4((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)4METHOXYBENZOATE
2chloro4((246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenyl4methoxybenzoate
COC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)C=C3C(=O)NC(=O)NC3=O)Cl
InChI=1SC19H13ClN2O6c127125311(4612)18(25)28157210(914(15)20)81316(23)2119(26)2217(13)24h29H1H3(H22122232426)
MFCD02643739
ZINC000001175667
ZINC01175667
ZINC1175667
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