Vitas-M small molecule compound
4-methoxy-8-nitropyrimido[4,5-b][1,4]benzothiazepine
Catalog ID
STL351310
SMILES COc1ncnc2c1N=Cc1c(S2)ccc(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 C12H8N4O3S MW 288.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8N4O3S/c1-19-11-10-12(15-6-14-11)20-9-3-2-8(16(17)18)4-7(9)5-13-10/h2-6H,1H3InChIKey
LABCTIJYNKUWSA-UHFFFAOYSA-NSynonyms
89498-87-34methoxy8nitrobenzo(f)pyrimido(45b)(14)thiazepine
4methoxy8nitropyrimido(45b)(14)benzothiazepine
89498873
COC1=C2C(=NC=N1)SC3=C(C=C(C=C3)(N+)(=O)(O))C=N2
COc1ncnc2c1N=Cc1c(S2)ccc(c1)(N+)(=O)(O)
InChI=1SC12H8N4O3Sc119111012(1561411)209328(16(17)18)47(9)51310h26H1H3
MFCD12200625
ZINC000012323580
ZINC12323580
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