Vitas-M small molecule compound
5-(3-ethoxy-4-hydroxyphenyl)-2-thioxo-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
Catalog ID
STK981100
SMILES CCOc1cc(ccc1O)C1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(=S)[nH]2
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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 C19H19N3O4S MW 385.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O4S/c1-2-26-13-8-9(6-7-11(13)23)14-15-10(4-3-5-12(15)24)20-17-16(14)18(25)22-19(27)21-17/h6-8,14,23H,2-5H2,1H3,(H3,20,21,22,25,27)InChIKey
RGOXZVZORMIJHX-UHFFFAOYSA-NSynonyms
721889-33-45(3ethoxy4hydroxyphenyl)2sulfanylidene1578910hexahydropyrimido(45b)quinoline46dione
5(3ethoxy4hydroxyphenyl)2thioxo2358910hexahydropyrimido(45b)quinoline46(1H7H)dione
721889334
CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)NC4=C2C(=O)NC(=S)N4)O
CCOc1cc(ccc1O)C1C2=C(CCCC2=O)Nc2c1c(=O)(nH)c(=S)(nH)2
InChI=1SC19H19N3O4Sc12261389(6711(13)23)141510(43512(15)24)201716(14)18(25)2219(27)2117h681423H25H21H3(H32021222527)
MFCD03952615
ZINC000004865132
ZINC000004865133
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