Vitas-M small molecule compound
prop-2-en-1-yl 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
STK704790
SMILES C=CCOC(=O)C1=C(C)N=C2N(C1c1ccc(cc1)OCCC(C)C)C(=O)CCS2
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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 C23H28N2O4S MW 428.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N2O4S/c1-5-12-29-22(27)20-16(4)24-23-25(19(26)11-14-30-23)21(20)17-6-8-18(9-7-17)28-13-10-15(2)3/h5-9,15,21H,1,10-14H2,2-4H3InChIKey
LXVAJEIPGXPGQW-UHFFFAOYSA-NSynonyms
CC1=C(C(N2C(=O)CCSC2=N1)C3=CC=C(C=C3)OCCC(C)C)C(=O)OCC=C
InChI=1SC23H28N2O4Sc15122922(27)2016(4)242325(19(26)11143023)21(20)176818(9717)28131015(2)3h591521H11014H224H3
MFCD04446632
prop2en1yl8methyl6(4(3methylbutoxy)phenyl)4oxo34dihydro2H6Hpyrimido(21b)(13)thiazine7carboxylate
PROP2ENYL8METHYL6(4(3METHYLBUTOXY)PHENYL)4OXO36DIHYDRO2HPYRIMIDO(21B)(13)THIAZINE7CARBOXYLATE
ZINC000002463658
ZINC000002463660
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