Vitas-M small molecule compound
3-(5-{(Z)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)benzoic acid
Catalog ID
STK537208
SMILES OC(=O)c1cccc(c1)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 C23H14N2O8 MW 446.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H14N2O8/c26-20-16(10-15-5-7-17(33-15)12-2-1-3-13(8-12)22(28)29)21(27)25(23(30)24-20)14-4-6-18-19(9-14)32-11-31-18/h1-10H,11H2,(H,28,29)(H,24,26,30)/b16-10-InChIKey
FCFRMHGBIBSIKX-YBEGLDIGSA-NSynonyms
(Z)3(5((1(benzo(d)(13)dioxol5yl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoicacid
3(5((Z)(1(13BENZODIOXOL5YL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)FURAN2YL)BENZOICACID
3(5((Z)(1(13benzodioxol5yl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)furan2yl)benzoicacid
C1OC2=C(O1)C=C(C=C2)N3C(=O)C(=CC4=CC=C(O4)C5=CC(=CC=C5)C(=O)O)C(=O)NC3=O
InChI=1SC23H14N2O8c262016(10155717(3315)1221313(812)22(28)29)21(27)25(23(30)2420)14461819(914)32113118h110H11H2(H2829)(H242630)b1610
MFCD02578441
OC(=O)c1cccc(c1)c1ccc(o1)C=C1C(=O)NC(=O)N(C1=O)c1ccc2c(c1)OCO2
ZINC000013800017
ZINC13800017
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