Vitas-M small molecule compound

propan-2-yl 7-methyl-2-(methylsulfanyl)-5-(4-nitrophenyl)-4-oxo-3,4,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate

Catalog ID
STK980939
SMILES CSc1nc2NC(=C(C(c2c(=O)[nH]1)c1ccc(cc1)[N+](=O)[O-])C(=O)OC(C)C)C

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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 C19H20N4O5S MW 416.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O5S/c1-9(2)28-18(25)13-10(3)20-16-15(17(24)22-19(21-16)29-4)14(13)11-5-7-12(8-6-11)23(26)27/h5-9,14H,1-4H3,(H2,20,21,22,24)
InChIKey
YQLRHSKPOPNTJI-UHFFFAOYSA-N
Synonyms
537045-47-9
537045479
CC1=C(C(C2=C(N1)NC(=NC2=O)SC)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)OC(C)C
CSc1nc2NC(=C(C(c2c(=O)(nH)1)c1ccc(cc1)(N+)(=O)(O))C(=O)OC(C)C)C
InChI=1SC19H20N4O5Sc19(2)2818(25)1310(3)201615(17(24)2219(2116)294)14(13)115712(8611)23(26)27h5914H14H3(H220212224)
MFCD04457413
propan2yl7methyl2(methylsulfanyl)5(4nitrophenyl)4oxo3458tetrahydropyrido(23d)pyrimidine6carboxylate
PROPAN2YL7METHYL2METHYLSULFANYL5(4NITROPHENYL)4OXO58DIHYDRO1HPYRIDO(23D)PYRIMIDINE6CARBOXYLATE
ZINC000004597352
ZINC000018165061

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Available files

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