Vitas-M small molecule compound
ethyl 8-methyl-6-(2-nitrophenyl)-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Catalog ID
STK705299
SMILES CCOC(=O)C1=C(C)N=C2N(C1c1ccccc1[N+](=O)[O-])C(=O)CCS2
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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 C17H17N3O5S MW 375.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N3O5S/c1-3-25-16(22)14-10(2)18-17-19(13(21)8-9-26-17)15(14)11-6-4-5-7-12(11)20(23)24/h4-7,15H,3,8-9H2,1-2H3InChIKey
KHGUYNLEFMTQQX-UHFFFAOYSA-NSynonyms
300770-27-8300770278
CCOC(=O)C1=C(C)N=C2N(C1c1ccccc1(N+)(=O)(O))C(=O)CCS2
CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3(N+)(=O)(O))C(=O)CCS2)C
ethyl8methyl6(2nitrophenyl)4oxo34dihydro2H6Hpyrimido(21b)(13)thiazine7carboxylate
ETHYL8METHYL6(2NITROPHENYL)4OXO36DIHYDRO2HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
InChI=1SC17H17N3O5Sc132516(22)1410(2)181719(13(21)892617)15(14)11645712(11)20(23)24h4715H389H212H3
MFCD02166451
ZINC000003636408
ZINC000003636410
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