Vitas-M small molecule compound
methyl 4-(5-{(Z)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoate
Catalog ID
STK170420
SMILES COC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
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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 C24H16N2O8 MW 460.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16N2O8/c1-31-23(29)14-4-2-13(3-5-14)18-9-7-16(34-18)11-17-21(27)25-24(30)26(22(17)28)15-6-8-19-20(10-15)33-12-32-19/h2-11H,12H2,1H3,(H,25,27,30)/b17-11-InChIKey
XQGIRIPJSJRQKF-BOPFTXTBSA-NSynonyms
(Z)methyl4(5((1(benzo(d)(13)dioxol5yl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoate
COC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5
COC(=O)c1ccc(cc1)c1ccc(o1)C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
InChI=1SC24H16N2O8c13123(29)144213(3514)189716(3418)111721(27)2524(30)26(22(17)28)15681920(1015)33123219h211H12H21H3(H252730)b1711
methyl4(5((Z)(1(13benzodioxol5yl)246trioxo13diazinan5ylidene)methyl)furan2yl)benzoate
METHYL4(5((Z)(1(13BENZODIOXOL5YL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)BENZOATE
MFCD02628976
ZINC000000886174
ZINC00886174
ZINC886174
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