Vitas-M small molecule compound
ethyl 8-methyl-6-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Catalog ID
STK821464
SMILES CCOC(=O)C1=C(C)N=C2N(C1c1cn(nc1c1ccc(cc1)[N+](=O)[O-])c1ccccc1)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 C26H23N5O5S MW 517.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N5O5S/c1-3-36-25(33)22-16(2)27-26-30(21(32)13-14-37-26)24(22)20-15-29(18-7-5-4-6-8-18)28-23(20)17-9-11-19(12-10-17)31(34)35/h4-12,15,24H,3,13-14H2,1-2H3InChIKey
SKNFPJKMUMVKJL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C)N=C2N(C1c1cn(nc1c1ccc(cc1)(N+)(=O)(O))c1ccccc1)C(=O)CCS2
CCOC(=O)C1=C(N=C2N(C1C3=CN(N=C3C4=CC=C(C=C4)(N+)(=O)(O))C5=CC=CC=C5)C(=O)CCS2)C
ethyl8methyl6(3(4nitrophenyl)1phenyl1Hpyrazol4yl)4oxo34dihydro2H6Hpyrimido(21b)(13)thiazine7carboxylate
ethyl8methyl6(3(4nitrophenyl)1phenylpyrazol4yl)4oxo36dihydro2Hpyrimido(21b)(13)thiazine7carboxylate
InChI=1SC26H23N5O5Sc133625(33)2216(2)272630(21(32)13143726)24(22)201529(187546818)2823(20)1791119(121017)31(34)35h4121524H31314H212H3
MFCD03462814
ZINC000026964444
ZINC000026964450
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