Vitas-M small molecule compound
2-(3-{(E)-[1-(1,3-benzodioxol-5-yl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indol-1-yl)propanoic acid
Catalog ID
STK170240
SMILES O=C1NC(=O)N(C(=O)/C/1=C/c1cn(c2c1cccc2)C(C(=O)O)C)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 C23H17N3O7 MW 447.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17N3O7/c1-12(22(29)30)25-10-13(15-4-2-3-5-17(15)25)8-16-20(27)24-23(31)26(21(16)28)14-6-7-18-19(9-14)33-11-32-18/h2-10,12H,11H2,1H3,(H,29,30)(H,24,27,31)/b16-8+InChIKey
MIUIHIJHJYTOCF-LZYBPNLTSA-NSynonyms
2(3((E)(1(13BENZODIOXOL5YL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)INDOL1YL)PROPANOICACID
2(3((E)(1(13BENZODIOXOL5YL)246TRIOXOTETRAHYDROPYRIMIDIN5(2H)YLIDENE)METHYL)1HINDOL1YL)PROPANOICACID
CC(C(=O)O)N1C=C(C2=CC=CC=C21)C=C3C(=O)NC(=O)N(C3=O)C4=CC5=C(C=C4)OCO5
InChI=1SC23H17N3O7c112(22(29)30)251013(15423517(15)25)81620(27)2423(31)26(21(16)28)14671819(914)33113218h21012H11H21H3(H2930)(H242731)b168+
MFCD05800855
O=C1NC(=O)N(C(=O)C1=Cc1cn(c2c1cccc2)C(C(=O)O)C)c1ccc2c(c1)OCO2
ZINC000009265058
ZINC000009265061
Check stock
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