Vitas-M small molecule compound
2-methoxy-4-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-methoxybenzoate
Catalog ID
STK899321
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)OC)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 C20H16N2O7 MW 396.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O7/c1-27-13-6-4-12(5-7-13)19(25)29-15-8-3-11(10-16(15)28-2)9-14-17(23)21-20(26)22-18(14)24/h3-10H,1-2H3,(H2,21,22,23,24,26)InChIKey
JFQWMCNEHVCUFW-UHFFFAOYSA-NSynonyms
(2METHOXY4((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)4METHOXYBENZOATE
2methoxy4((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)OC
InChI=1SC20H16N2O7c127136412(5713)19(25)29158311(1016(15)282)91417(23)2120(26)2218(14)24h310H12H3(H22122232426)
MFCD03137009
ZINC000001175949
ZINC01175949
ZINC1175949
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