Vitas-M small molecule compound
ethyl 3-{(E)-[1-(2-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indole-2-carboxylate
Catalog ID
STK532799
SMILES CCOC(=O)c1[nH]c2c(c1/C=C/1\C(=O)NC(=O)N(C1=O)c1ccccc1F)cccc2
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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 C22H16FN3O5 MW 421.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O5/c1-2-31-21(29)18-13(12-7-3-5-9-16(12)24-18)11-14-19(27)25-22(30)26(20(14)28)17-10-6-4-8-15(17)23/h3-11,24H,2H2,1H3,(H,25,27,30)/b14-11+InChIKey
RHKHRSNFSMAVQJ-SDNWHVSQSA-NSynonyms
(E)ethyl3((1(2fluorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindole2carboxylate
CCOC(=O)c1(nH)c2c(c1C=C1C(=O)NC(=O)N(C1=O)c1ccccc1F)cccc2
CCOC(=O)C1=C(C2=CC=CC=C2N1)C=C3C(=O)NC(=O)N(C3=O)C4=CC=CC=C4F
ETHYL3((E)(1(2FLUOROPHENYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)1HINDOLE2CARBOXYLATE
ethyl3((E)(1(2fluorophenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindole2carboxylate
InChI=1SC22H16FN3O5c123121(29)1813(12735916(12)2418)111419(27)2522(30)26(20(14)28)171064815(17)23h31124H2H21H3(H252730)b1411+
MFCD01946344
ZINC000009330117
ZINC9330117
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