Vitas-M small molecule compound
prop-2-en-1-yl 2-chloro-5-{5-[(2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STL431849
SMILES C=CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)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/c1-2-7-27-18(25)12-8-10(3-5-14(12)20)15-6-4-11(28-15)9-13-16(23)21-19(26)22-17(13)24/h2-6,8-9H,1,7H2,(H2,21,22,23,24,26)InChIKey
PZQZLYDWFCOOCT-UHFFFAOYSA-NSynonyms
C=CCOC(=O)C1=C(C=CC(=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)NC3=O)Cl
InChI=1SC19H13ClN2O6c1272718(25)12810(3514(12)20)156411(2815)91316(23)2119(26)2217(13)24h2689H17H2(H22122232426)
MFCD01363761
prop2en1yl2chloro5(5((246trioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoate
PROP2ENYL2CHLORO5(5((246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOATE
ZINC000005175592
ZINC05175592
ZINC5175592
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