Vitas-M small molecule compound
2-methylpropyl 8-methyl-6-(3-nitrophenyl)-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Catalog ID
STK812872
SMILES CC(COC(=O)C1=C(C)N=C2N(C1c1cccc(c1)[N+](=O)[O-])C(=O)CCS2)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 C19H21N3O5S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O5S/c1-11(2)10-27-18(24)16-12(3)20-19-21(15(23)7-8-28-19)17(16)13-5-4-6-14(9-13)22(25)26/h4-6,9,11,17H,7-8,10H2,1-3H3InChIKey
RMXYVUDDWAJAKZ-UHFFFAOYSA-NSynonyms
616213-84-42methylpropyl8methyl6(3nitrophenyl)4oxo34dihydro2H6Hpyrimido(21b)(13)thiazine7carboxylate
2METHYLPROPYL8METHYL6(3NITROPHENYL)4OXO36DIHYDRO2HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
616213844
CC(COC(=O)C1=C(C)N=C2N(C1c1cccc(c1)(N+)(=O)(O))C(=O)CCS2)C
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)OCC(C)C
InChI=1SC19H21N3O5Sc111(2)102718(24)1612(3)201921(15(23)782819)17(16)1354614(913)22(25)26h4691117H7810H213H3
MFCD03530018
ZINC000002502053
ZINC000002502054
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