Vitas-M small molecule compound
methyl 6-[3-(4-chlorophenyl)-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
STK821465
SMILES COC(=O)C1=C(C)N=C2N(C1c1cn(nc1c1ccc(cc1)Cl)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 C25H21ClN4O3S MW 492.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN4O3S/c1-15-21(24(32)33-2)23(30-20(31)12-13-34-25(30)27-15)19-14-29(18-6-4-3-5-7-18)28-22(19)16-8-10-17(26)11-9-16/h3-11,14,23H,12-13H2,1-2H3InChIKey
UNWLZWPPSNCFPO-UHFFFAOYSA-NSynonyms
CC1=C(C(N2C(=O)CCSC2=N1)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C(=O)OC
InChI=1SC25H21ClN4O3Sc11521(24(32)332)23(3020(31)12133425(30)2715)191429(186435718)2822(19)1681017(26)11916h3111423H1213H212H3
methyl6(3(4chlorophenyl)1phenyl1Hpyrazol4yl)8methyl4oxo34dihydro2H6Hpyrimido(21b)(13)thiazine7carboxylate
methyl6(3(4chlorophenyl)1phenylpyrazol4yl)8methyl4oxo36dihydro2Hpyrimido(21b)(13)thiazine7carboxylate
MFCD03462815
ZINC000026964459
ZINC000026964468
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