Vitas-M small molecule compound
2-methylpropyl (2E)-2-benzylidene-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798731
SMILES CC(COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1ccccc1)/s2)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 C23H22N2O3S2 MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O3S2/c1-14(2)13-28-22(27)19-15(3)24-23-25(20(19)17-10-7-11-29-17)21(26)18(30-23)12-16-8-5-4-6-9-16/h4-12,14,20H,13H2,1-3H3/b18-12+InChIKey
KGFJSDLCACNZER-LDADJPATSA-NSynonyms
2methylpropyl(2E)2benzylidene7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
2methylpropyl(2E)2benzylidene7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
CC(COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccccc1)s2)C
CC1=C(C(N2C(=O)C(=CC3=CC=CC=C3)SC2=N1)C4=CC=CS4)C(=O)OCC(C)C
InChI=1SC23H22N2O3S2c114(2)132822(27)1915(3)242325(20(19)17107112917)21(26)18(3023)12168546916h4121420H13H213H3b1812+
MFCD03417794
ZINC000016700401
ZINC000016700403
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