Vitas-M small molecule compound
benzyl 8-methyl-6-[4-(3-methylbutoxy)phenyl]-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Catalog ID
STK799479
SMILES CC(CCOc1ccc(cc1)C1N2C(=O)CCSC2=NC(=C1C(=O)OCc1ccccc1)C)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 C27H30N2O4S MW 478.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H30N2O4S/c1-18(2)13-15-32-22-11-9-21(10-12-22)25-24(26(31)33-17-20-7-5-4-6-8-20)19(3)28-27-29(25)23(30)14-16-34-27/h4-12,18,25H,13-17H2,1-3H3InChIKey
LBPSACKHHCYERO-UHFFFAOYSA-NSynonyms
benzyl8methyl6(4(3methylbutoxy)phenyl)4oxo34dihydro2H6Hpyrimido(21b)(13)thiazine7carboxylate
BENZYL8METHYL6(4(3METHYLBUTOXY)PHENYL)4OXO36DIHYDRO2HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)OCCC(C)C)C(=O)OCC4=CC=CC=C4
InChI=1SC27H30N2O4Sc118(2)1315322211921(101222)2524(26(31)3317207546820)19(3)282729(25)23(30)14163427h4121825H1317H213H3
MFCD06642792
ZINC000003637558
ZINC000003637560
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