Vitas-M small molecule compound
ethyl 6-[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Catalog ID
STK821466
SMILES CCOC(=O)C1=C(C)N=C2N(C1c1cn(nc1c1ccc(cc1)OC)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 C27H26N4O4S MW 502.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O4S/c1-4-35-26(33)23-17(2)28-27-31(22(32)14-15-36-27)25(23)21-16-30(19-8-6-5-7-9-19)29-24(21)18-10-12-20(34-3)13-11-18/h5-13,16,25H,4,14-15H2,1-3H3InChIKey
BTPZPOBYWJHIFE-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C2N(C1C3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC=CC=C5)C(=O)CCS2)C
ethyl6(3(4methoxyphenyl)1phenyl1Hpyrazol4yl)8methyl4oxo34dihydro2H6Hpyrimido(21b)(13)thiazine7carboxylate
ethyl6(3(4methoxyphenyl)1phenylpyrazol4yl)8methyl4oxo36dihydro2Hpyrimido(21b)(13)thiazine7carboxylate
InChI=1SC27H26N4O4Sc143526(33)2317(2)282731(22(32)14153627)25(23)211630(198657919)2924(21)18101220(343)131118h5131625H41415H213H3
MFCD03462816
ZINC000026687952
ZINC000026687956
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