Vitas-M small molecule compound
2-(ethylsulfanyl)-5-(4-nitrophenyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Catalog ID
STK980665
SMILES CCSc1nc2NC3=C(C(c2c(=O)[nH]1)c1ccc(cc1)[N+](=O)[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 C19H18N4O4S MW 398.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O4S/c1-2-28-19-21-17-16(18(25)22-19)14(10-6-8-11(9-7-10)23(26)27)15-12(20-17)4-3-5-13(15)24/h6-9,14H,2-5H2,1H3,(H2,20,21,22,25)InChIKey
JBJCKRYJYNBWEW-UHFFFAOYSA-NSynonyms
537042-95-82(ethylsulfanyl)5(4nitrophenyl)58910tetrahydropyrimido(45b)quinoline46(3H7H)dione
2ethylsulfanyl5(4nitrophenyl)1578910hexahydropyrimido(45b)quinoline46dione
537042958
CCSC1=NC(=O)C2=C(N1)NC3=C(C2C4=CC=C(C=C4)(N+)(=O)(O))C(=O)CCC3
CCSc1nc2NC3=C(C(c2c(=O)(nH)1)c1ccc(cc1)(N+)(=O)(O))C(=O)CCC3
InChI=1SC19H18N4O4Sc122819211716(18(25)2219)14(106811(9710)23(26)27)1512(2017)43513(15)24h6914H25H21H3(H220212225)
MFCD04457242
ZINC000006001722
ZINC000006002202
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