Vitas-M small molecule compound
ethyl 3-{(E)-[1-(4-fluorophenyl)-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene]methyl}-1H-indole-2-carboxylate
Catalog ID
STL045591
SMILES CCOC(=O)c1[nH]c2c(c1/C=C/1\C(=O)N=C(N(C1=O)c1ccc(cc1)F)S)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 C22H16FN3O4S MW 437.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O4S/c1-2-30-21(29)18-15(14-5-3-4-6-17(14)24-18)11-16-19(27)25-22(31)26(20(16)28)13-9-7-12(23)8-10-13/h3-11,24H,2H2,1H3,(H,25,27,31)/b16-11+InChIKey
FPYRWCFSAJVQGG-LFIBNONCSA-NSynonyms
CCOC(=O)c1(nH)c2c(c1C=C1C(=O)N=C(N(C1=O)c1ccc(cc1)F)S)cccc2
CCOC(=O)C1=C(C2=CC=CC=C2N1)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)F
ethyl3((E)(1(4fluorophenyl)46dioxo2sulfanyl16dihydropyrimidin5(4H)ylidene)methyl)1Hindole2carboxylate
ETHYL3((E)(1(4FLUOROPHENYL)46DIOXO2SULFANYLIDENE13DIAZINAN5YLIDENE)METHYL)1HINDOLE2CARBOXYLATE
InChI=1SC22H16FN3O4Sc123021(29)1815(14534617(14)2418)111619(27)2522(31)26(20(16)28)139712(23)81013h31124H2H21H3(H252731)b1611+
MFCD03793776
ZINC000002283724
ZINC2283724
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