Vitas-M small molecule compound
propan-2-yl 4-{5-[(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl]furan-2-yl}benzoate
Catalog ID
STL431818
SMILES CC(OC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)N(C)C(=O)N(C1=O)C)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 C21H20N2O6 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6/c1-12(2)28-20(26)14-7-5-13(6-8-14)17-10-9-15(29-17)11-16-18(24)22(3)21(27)23(4)19(16)25/h5-12H,1-4H3InChIKey
ZXMXYSBBPUOXDN-UHFFFAOYSA-NSynonyms
CC(C)OC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=O)N(C3=O)C)C
InChI=1SC21H20N2O6c112(2)2820(26)147513(6814)1710915(2917)111618(24)22(3)21(27)23(4)19(16)25h512H14H3
MFCD01363743
PROPAN2YL4(5((13DIMETHYL246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOATE
propan2yl4(5((13dimethyl246trioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoate
ZINC000004853179
ZINC04853179
ZINC4853179
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