Vitas-M small molecule compound
benzyl 6-(4-butoxy-3-ethoxyphenyl)-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Catalog ID
STK815771
SMILES CCCCOc1ccc(cc1OCC)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 C28H32N2O5S MW 508.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N2O5S/c1-4-6-15-34-22-13-12-21(17-23(22)33-5-2)26-25(27(32)35-18-20-10-8-7-9-11-20)19(3)29-28-30(26)24(31)14-16-36-28/h7-13,17,26H,4-6,14-16,18H2,1-3H3InChIKey
NFHIRIGPQBDYDW-UHFFFAOYSA-NSynonyms
benzyl6(4butoxy3ethoxyphenyl)8methyl4oxo34dihydro2H6Hpyrimido(21b)(13)thiazine7carboxylate
BENZYL6(4BUTOXY3ETHOXYPHENYL)8METHYL4OXO36DIHYDRO2HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
CCCCOC1=C(C=C(C=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OCC4=CC=CC=C4)OCC
InChI=1SC28H32N2O5Sc146153422131221(1723(22)3352)2625(27(32)351820108791120)19(3)292830(26)24(31)14163628h7131726H46141618H213H3
MFCD03530204
ZINC000016732776
ZINC000016732778
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