Vitas-M small molecule compound
4-[(4-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-2-chloro-6-methoxyphenoxy)methyl]benzoic acid
Catalog ID
STK170145
SMILES COc1cc(/C=C/2\C(=O)NC(=O)N(C2=O)c2ccc3c(c2)OCO3)cc(c1OCc1ccc(cc1)C(=O)O)Cl
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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 C27H19ClN2O9 MW 550.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19ClN2O9/c1-36-22-10-15(9-19(28)23(22)37-12-14-2-4-16(5-3-14)26(33)34)8-18-24(31)29-27(35)30(25(18)32)17-6-7-20-21(11-17)39-13-38-20/h2-11H,12-13H2,1H3,(H,33,34)(H,29,31,35)/b18-8+InChIKey
RGXPDYJOJPTGOP-QGMBQPNBSA-NSynonyms
4((4((E)(1(13benzodioxol5yl)246trioxo13diazinan5ylidene)methyl)2chloro6methoxyphenoxy)methyl)benzoicacid
4((4((E)(1(13BENZODIOXOL5YL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)2CHLORO6METHOXYPHENOXY)METHYL)BENZOICACID
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=O)N(C2=O)C3=CC4=C(C=C3)OCO4)Cl)OCC5=CC=C(C=C5)C(=O)O
COc1cc(C=C2C(=O)NC(=O)N(C2=O)c2ccc3c(c2)OCO3)cc(c1OCc1ccc(cc1)C(=O)O)Cl
InChI=1SC27H19ClN2O9c136221015(919(28)23(22)3712142416(5314)26(33)34)81824(31)2927(35)30(25(18)32)17672021(1117)39133820h211H1213H21H3(H3334)(H293135)b188+
MFCD04307897
ZINC000097960511
ZINC97960511
Check stock
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Check stock on Vitas-MAvailable files
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