Vitas-M small molecule compound
5-(5-{(Z)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}furan-2-yl)-2-chlorobenzoic acid
Catalog ID
STK170839
SMILES O=C1NC(=O)N(C(=O)/C/1=C\c1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)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 C23H13ClN2O8 MW 480.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H13ClN2O8/c24-16-4-1-11(7-14(16)22(29)30)17-6-3-13(34-17)9-15-20(27)25-23(31)26(21(15)28)12-2-5-18-19(8-12)33-10-32-18/h1-9H,10H2,(H,29,30)(H,25,27,31)/b15-9-InChIKey
AOWMNUHSJLERCJ-DHDCSXOGSA-NSynonyms
5(5((Z)(1(13benzodioxol5yl)246trioxo13diazinan5ylidene)methyl)furan2yl)2chlorobenzoicacid
5(5((Z)(1(13BENZODIOXOL5YL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)FURAN2YL)2CHLOROBENZOICACID
C1OC2=C(O1)C=C(C=C2)N3C(=O)C(=CC4=CC=C(O4)C5=CC(=C(C=C5)Cl)C(=O)O)C(=O)NC3=O
InChI=1SC23H13ClN2O8c24164111(714(16)22(29)30)176313(3417)91520(27)2523(31)26(21(15)28)12251819(812)33103218h19H10H2(H2930)(H252731)b159
MFCD03062991
O=C1NC(=O)N(C(=O)C1=Cc1ccc(o1)c1ccc(c(c1)C(=O)O)Cl)c1ccc2c(c1)OCO2
ZINC000014010767
ZINC14010767
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