Vitas-M small molecule compound
benzyl 8-methyl-6-(2-nitrophenyl)-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Catalog ID
STK814735
SMILES O=C1CCSC2=NC(=C(C(N12)c1ccccc1[N+](=O)[O-])C(=O)OCc1ccccc1)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 C22H19N3O5S MW 437.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5S/c1-14-19(21(27)30-13-15-7-3-2-4-8-15)20(16-9-5-6-10-17(16)25(28)29)24-18(26)11-12-31-22(24)23-14/h2-10,20H,11-13H2,1H3InChIKey
HFSFOKYYYAENHW-UHFFFAOYSA-NSynonyms
benzyl8methyl6(2nitrophenyl)4oxo34dihydro2H6Hpyrimido(21b)(13)thiazine7carboxylate
BENZYL8METHYL6(2NITROPHENYL)4OXO36DIHYDRO2HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=CC=C3(N+)(=O)(O))C(=O)OCC4=CC=CC=C4
InChI=1SC22H19N3O5Sc11419(21(27)3013157324815)20(169561017(16)25(28)29)2418(26)11123122(24)2314h21020H1113H21H3
MFCD03530016
O=C1CCSC2=NC(=C(C(N12)c1ccccc1(N+)(=O)(O))C(=O)OCc1ccccc1)C
ZINC000002502910
ZINC000002502911
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