Vitas-M small molecule compound
prop-2-en-1-yl 2-chloro-5-{5-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STL431879
SMILES C=CCOC(=O)c1cc(ccc1Cl)c1ccc(o1)C=C1C(=O)N(C)C(=O)N(C1=O)C
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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 C21H17ClN2O6 MW 428.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN2O6/c1-4-9-29-20(27)14-10-12(5-7-16(14)22)17-8-6-13(30-17)11-15-18(25)23(2)21(28)24(3)19(15)26/h4-8,10-11H,1,9H2,2-3H3InChIKey
AZDBZBJRVOHTJZ-UHFFFAOYSA-NSynonyms
CN1C(=O)C(=CC2=CC=C(O2)C3=CC(=C(C=C3)Cl)C(=O)OCC=C)C(=O)N(C1=O)C
InChI=1SC21H17ClN2O6c1492920(27)141012(5716(14)22)178613(3017)111518(25)23(2)21(28)24(3)19(15)26h481011H19H223H3
MFCD01363762
prop2en1yl2chloro5(5((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoate
PROP2ENYL2CHLORO5(5((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOATE
ZINC000006878789
ZINC06878789
ZINC6878789
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