Vitas-M small molecule compound
benzyl 8-methyl-4-oxo-6-[4-(propan-2-yl)phenyl]-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Catalog ID
STK821576
SMILES O=C1CCSC2=NC(=C(C(N12)c1ccc(cc1)C(C)C)C(=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 C25H26N2O3S MW 434.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O3S/c1-16(2)19-9-11-20(12-10-19)23-22(24(29)30-15-18-7-5-4-6-8-18)17(3)26-25-27(23)21(28)13-14-31-25/h4-12,16,23H,13-15H2,1-3H3InChIKey
RVEAHITWNCGAEX-UHFFFAOYSA-NSynonyms
benzyl8methyl4oxo6(4(propan2yl)phenyl)34dihydro2H6Hpyrimido(21b)(13)thiazine7carboxylate
BENZYL8METHYL4OXO6(4PROPAN2YLPHENYL)36DIHYDRO2HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)C(C)C)C(=O)OCC4=CC=CC=C4
InChI=1SC25H26N2O3Sc116(2)1991120(121019)2322(24(29)3015187546818)17(3)262527(23)21(28)13143125h4121623H1315H213H3
MFCD03462888
ZINC000003636397
ZINC000003636400
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