Vitas-M small molecule compound

ethyl 3-[(E)-{1-[2-(4-fluorophenyl)ethyl]-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene}methyl]-1H-indole-2-carboxylate

Catalog ID
STK532952
SMILES CCOC(=O)c1[nH]c2c(c1/C=C/1\C(=O)NC(=O)N(C1=O)CCc1ccc(cc1)F)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 C24H20FN3O5 MW 449.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20FN3O5/c1-2-33-23(31)20-17(16-5-3-4-6-19(16)26-20)13-18-21(29)27-24(32)28(22(18)30)12-11-14-7-9-15(25)10-8-14/h3-10,13,26H,2,11-12H2,1H3,(H,27,29,32)/b18-13+
InChIKey
JGAFHXAQMLJZKB-QGOAFFKASA-N
Synonyms

(E)ethyl3((1(4fluorophenethyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindole2carboxylate
CCOC(=O)c1(nH)c2c(c1C=C1C(=O)NC(=O)N(C1=O)CCc1ccc(cc1)F)cccc2
CCOC(=O)C1=C(C2=CC=CC=C2N1)C=C3C(=O)NC(=O)N(C3=O)CCC4=CC=C(C=C4)F
ETHYL3((E)(1(2(4FLUOROPHENYL)ETHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)1HINDOLE2CARBOXYLATE
ethyl3((E)(1(2(4fluorophenyl)ethyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindole2carboxylate
InChI=1SC24H20FN3O5c123323(31)2017(16534619(16)2620)131821(29)2724(32)28(22(18)30)1211147915(25)10814h3101326H21112H21H3(H272932)b1813+
MFCD01944987
ZINC000017042999
ZINC17042999

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Available files

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