Vitas-M small molecule compound
ethyl 4-(5-{(Z)-[2,4,6-trioxo-1-(prop-2-en-1-yl)tetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STK742380
SMILES C=CCN1C(=O)NC(=O)/C(=C/c2ccc(o2)c2ccc(cc2)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/c1-3-11-23-19(25)16(18(24)22-21(23)27)12-15-9-10-17(29-15)13-5-7-14(8-6-13)20(26)28-4-2/h3,5-10,12H,1,4,11H2,2H3,(H,22,24,27)/b16-12-InChIKey
ZEZIBKVKMLBXNW-VBKFSLOCSA-NSynonyms
5885-71-25885712
C=CCN1C(=O)NC(=O)C(=Cc2ccc(o2)c2ccc(cc2)C(=O)OCC)C1=O
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)CC=C
ethyl4(5((Z)(246trioxo1(prop2en1yl)tetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoate
ETHYL4(5((Z)(246TRIOXO1PROP2ENYL13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOATE
InChI=1SC21H18N2O6c13112319(25)16(18(24)2221(23)27)121591017(2915)135714(8613)20(26)2842h351012H1411H22H3(H222427)b1612
MFCD01571418
ZINC000012411097
ZINC12411097
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