Vitas-M small molecule compound
2-(ethylsulfanyl)-5-(3-hydroxyphenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980655
SMILES CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1cccc(c1)O)C(=O)CCC3
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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 C19H19N3O3S MW 369.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O3S/c1-2-26-19-21-17-16(18(25)22-19)14(10-5-3-6-11(23)9-10)15-12(20-17)7-4-8-13(15)24/h3,5-6,9,14,23H,2,4,7-8H2,1H3,(H2,20,21,22,25)InChIKey
XHEPFUAZVJARFX-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)5(3hydroxyphenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2ethylsulfanyl5(3hydroxyphenyl)1578910hexahydropyrimido(45b)quinoline46dione
CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC(=CC=C4)O)C(=O)CCC3
CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1cccc(c1)O)C(=O)CCC3
InChI=1SC19H19N3O3Sc122619211716(18(25)2219)14(1053611(23)910)1512(2017)74813(15)24h35691423H2478H21H3(H220212225)
MFCD04457250
ZINC000006001746
ZINC000006002225
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