Vitas-M small molecule compound
2-methylpropyl (2E)-2-(4-chlorobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798732
SMILES CC(COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1ccc(cc1)Cl)/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 C23H21ClN2O3S2 MW 473.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN2O3S2/c1-13(2)12-29-22(28)19-14(3)25-23-26(20(19)17-5-4-10-30-17)21(27)18(31-23)11-15-6-8-16(24)9-7-15/h4-11,13,20H,12H2,1-3H3/b18-11+InChIKey
WAHJZFKIBPMNQX-WOJGMQOQSA-NSynonyms
2methylpropyl(2E)2((4chlorophenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
2methylpropyl(2E)2(4chlorobenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CC(COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(cc1)Cl)s2)C
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)Cl)SC2=N1)C4=CC=CS4)C(=O)OCC(C)C
InChI=1SC23H21ClN2O3S2c113(2)122922(28)1914(3)252326(20(19)1754103017)21(27)18(3123)11156816(24)9715h4111320H12H213H3b1811+
MFCD03417795
ZINC000016700404
ZINC000016700406
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