Vitas-M small molecule compound
methyl 3-{(E)-[1-(4-fluorobenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}-1H-indole-2-carboxylate
Catalog ID
STK525987
SMILES COC(=O)c1[nH]c2c(c1/C=C/1\C(=O)NC(=O)N(C1=O)Cc1ccc(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 C22H16FN3O5 MW 421.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O5/c1-31-21(29)18-15(14-4-2-3-5-17(14)24-18)10-16-19(27)25-22(30)26(20(16)28)11-12-6-8-13(23)9-7-12/h2-10,24H,11H2,1H3,(H,25,27,30)/b16-10+InChIKey
CCAKQCFQNBTLBJ-MHWRWJLKSA-NSynonyms
(E)methyl3((1(4fluorobenzyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindole2carboxylate
COC(=O)c1(nH)c2c(c1C=C1C(=O)NC(=O)N(C1=O)Cc1ccc(cc1)F)cccc2
COC(=O)C1=C(C2=CC=CC=C2N1)C=C3C(=O)NC(=O)N(C3=O)CC4=CC=C(C=C4)F
InChI=1SC22H16FN3O5c13121(29)1815(14423517(14)2418)101619(27)2522(30)26(20(16)28)11126813(23)9712h21024H11H21H3(H252730)b1610+
METHYL3((E)(1((4FLUOROPHENYL)METHYL)246TRIOXO13DIAZINAN5YLIDENE)METHYL)1HINDOLE2CARBOXYLATE
methyl3((E)(1(4fluorobenzyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)1Hindole2carboxylate
MFCD01960134
ZINC000002289805
ZINC02289805
ZINC2289805
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