Vitas-M small molecule compound
methyl 1-cyclopropyl-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Catalog ID
STL175630
SMILES COC(=O)c1cc(nc2c1c(=O)nc(n2C1CC1)S)c1cccc(c1)[N+](=O)[O-]
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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 C18H14N4O5S MW 398.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14N4O5S/c1-27-17(24)12-8-13(9-3-2-4-11(7-9)22(25)26)19-15-14(12)16(23)20-18(28)21(15)10-5-6-10/h2-4,7-8,10H,5-6H2,1H3,(H,20,23,28)InChIKey
XDAUAEOOSCHTSP-UHFFFAOYSA-NSynonyms
938021-48-8938021488
COC(=O)C1=CC(=NC2=C1C(=O)NC(=S)N2C3CC3)C4=CC(=CC=C4)(N+)(=O)(O)
COC(=O)c1cc(nc2c1c(=O)nc(n2C1CC1)S)c1cccc(c1)(N+)(=O)(O)
InChI=1SC18H14N4O5Sc12717(24)12813(932411(79)22(25)26)191514(12)16(23)2018(28)21(15)105610h247810H56H21H3(H202328)
methyl1cyclopropyl7(3nitrophenyl)4oxo2sulfanyl14dihydropyrido(23d)pyrimidine5carboxylate
methyl1cyclopropyl7(3nitrophenyl)4oxo2sulfanylidenepyrido(23d)pyrimidine5carboxylate
MFCD08555709
ZINC000020608040
ZINC20608040
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