Vitas-M small molecule compound
benzyl (2E)-2-[4-(acetyloxy)benzylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK813408
SMILES CC(=O)Oc1ccc(cc1)/C=c\1/sc2=NC(=C(C(n2c1=O)c1cccs1)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 C28H22N2O5S2 MW 530.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O5S2/c1-17-24(27(33)34-16-20-7-4-3-5-8-20)25(22-9-6-14-36-22)30-26(32)23(37-28(30)29-17)15-19-10-12-21(13-11-19)35-18(2)31/h3-15,25H,16H2,1-2H3/b23-15+InChIKey
LLHIQSRDJQZXOD-HZHRSRAPSA-NSynonyms
617696-97-6617696976
benzyl(2E)2((4acetyloxyphenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
benzyl(2E)2(4(acetyloxy)benzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
BENZYL2(4ACETOXYBENZYLIDENE)7METHYL3OXO5(THIOPHEN2YL)35DIHYDRO2HTHIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
CC(=O)Oc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCc1ccccc1)C
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)OC(=O)C)SC2=N1)C4=CC=CS4)C(=O)OCC5=CC=CC=C5
InChI=1SC28H22N2O5S2c11724(27(33)3416207435820)25(2296143622)3026(32)23(3728(30)2917)1519101221(131119)3518(2)31h31525H16H212H3b2315+
MFCD04441541
ZINC000100871401
ZINC000100871402
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