Vitas-M small molecule compound
2-methoxy-5-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]phenyl 4-methylbenzoate
Catalog ID
STL164125
SMILES COc1ccc(cc1OC(=O)c1ccc(cc1)C)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 C20H16N2O6 MW 380.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O6/c1-11-3-6-13(7-4-11)19(25)28-16-10-12(5-8-15(16)27-2)9-14-17(23)21-20(26)22-18(14)24/h3-10H,1-2H3,(H2,21,22,23,24,26)InChIKey
WGVPLKXZGBSGKK-UHFFFAOYSA-NSynonyms
(2METHOXY5((246TRIOXO13DIAZINAN5YLIDENE)METHYL)PHENYL)4METHYLBENZOATE
2methoxy5((246trioxotetrahydropyrimidin5(2H)ylidene)methyl)phenyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OC2=C(C=CC(=C2)C=C3C(=O)NC(=O)NC3=O)OC
InChI=1SC20H16N2O6c1113613(7411)19(25)28161012(5815(16)272)91417(23)2120(26)2218(14)24h310H12H3(H22122232426)
MFCD02643738
ZINC000001178804
ZINC01178804
ZINC1178804
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