Vitas-M small molecule compound
methyl 6-[4-(acetyloxy)-3-ethoxyphenyl]-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Catalog ID
STK704787
SMILES CCOc1cc(ccc1OC(=O)C)C1N2C(=O)CCSC2=NC(=C1C(=O)OC)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 C20H22N2O6S MW 418.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O6S/c1-5-27-15-10-13(6-7-14(15)28-12(3)23)18-17(19(25)26-4)11(2)21-20-22(18)16(24)8-9-29-20/h6-7,10,18H,5,8-9H2,1-4H3InChIKey
QQHQQMMGPNQDLC-UHFFFAOYSA-NSynonyms
CCOC1=C(C=CC(=C1)C2C(=C(N=C3N2C(=O)CCS3)C)C(=O)OC)OC(=O)C
InChI=1SC20H22N2O6Sc1527151013(6714(15)2812(3)23)1817(19(25)264)11(2)212022(18)16(24)892920h671018H589H214H3
methyl6(4(acetyloxy)3ethoxyphenyl)8methyl4oxo34dihydro2H6Hpyrimido(21b)(13)thiazine7carboxylate
METHYL6(4ACETYLOXY3ETHOXYPHENYL)8METHYL4OXO36DIHYDRO2HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
MFCD03530089
ZINC000003636419
ZINC000003636421
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