Vitas-M small molecule compound
ethyl 3-(5-{(Z)-[2,4,6-trioxo-1-(prop-2-en-1-yl)tetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STL419048
SMILES C=CCN1C(=O)NC(=O)/C(=C/c2ccc(o2)c2cccc(c2)C(=O)OCC)/C1=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 C21H18N2O6 MW 394.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O6/c1-3-10-23-19(25)16(18(24)22-21(23)27)12-15-8-9-17(29-15)13-6-5-7-14(11-13)20(26)28-4-2/h3,5-9,11-12H,1,4,10H2,2H3,(H,22,24,27)/b16-12-InChIKey
YDEWTJVHUPDCKQ-VBKFSLOCSA-NSynonyms
C=CCN1C(=O)NC(=O)C(=Cc2ccc(o2)c2cccc(c2)C(=O)OCC)C1=O
CCOC(=O)C1=CC=CC(=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)CC=C
ETHYL3(5((246TRIOXO1PROP2ENYL13DIHYDROPYRIMIDIN5YLIDENE)METHYL)2FURYL)BENZOATE
ethyl3(5((Z)(246trioxo1(prop2en1yl)tetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoate
ETHYL3(5((Z)(246TRIOXO1PROP2ENYL13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOATE
InChI=1SC21H18N2O6c13102319(25)16(18(24)2221(23)27)12158917(2915)1365714(1113)20(26)2842h3591112H1410H22H3(H222427)b1612
MFCD04084353
ZINC000006463948
ZINC06463948
ZINC6463948
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