Vitas-M small molecule compound
benzyl 6-[3-methoxy-4-(2-methylpropoxy)phenyl]-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Catalog ID
STK816758
SMILES COc1cc(ccc1OCC(C)C)C1N2C(=O)CCSC2=NC(=C1C(=O)OCc1ccccc1)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 C27H30N2O5S MW 494.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O5S/c1-17(2)15-33-21-11-10-20(14-22(21)32-4)25-24(26(31)34-16-19-8-6-5-7-9-19)18(3)28-27-29(25)23(30)12-13-35-27/h5-11,14,17,25H,12-13,15-16H2,1-4H3InChIKey
OXNHYHCUDKFWRL-UHFFFAOYSA-NSynonyms
benzyl6(3methoxy4(2methylpropoxy)phenyl)8methyl4oxo34dihydro2H6Hpyrimido(21b)(13)thiazine7carboxylate
BENZYL6(3METHOXY4(2METHYLPROPOXY)PHENYL)8METHYL4OXO36DIHYDRO2HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC(=C(C=C3)OCC(C)C)OC)C(=O)OCC4=CC=CC=C4
InChI=1SC27H30N2O5Sc117(2)153321111020(1422(21)324)2524(26(31)3416198657919)18(3)282729(25)23(30)12133527h511141725H12131516H214H3
MFCD03530211
ZINC000003636479
ZINC000003636480
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