Vitas-M small molecule compound
benzyl 6-(4-butoxy-3-methoxyphenyl)-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Catalog ID
STK816982
SMILES CCCCOc1ccc(cc1OC)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/c1-4-5-14-33-21-12-11-20(16-22(21)32-3)25-24(26(31)34-17-19-9-7-6-8-10-19)18(2)28-27-29(25)23(30)13-15-35-27/h6-12,16,25H,4-5,13-15,17H2,1-3H3InChIKey
PFDQXNQMGSXOHE-UHFFFAOYSA-NSynonyms
benzyl6(4butoxy3methoxyphenyl)8methyl4oxo34dihydro2H6Hpyrimido(21b)(13)thiazine7carboxylate
BENZYL6(4BUTOXY3METHOXYPHENYL)8METHYL4OXO36DIHYDRO2HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
CCCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OCC4=CC=CC=C4)OC
InChI=1SC27H30N2O5Sc145143321121120(1622(21)323)2524(26(31)34171997681019)18(2)282729(25)23(30)13153527h6121625H45131517H213H3
MFCD03530158
ZINC000003636437
ZINC000003636440
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