Vitas-M small molecule compound
benzyl (2E)-2-(4-fluorobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK811108
SMILES Fc1ccc(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 C26H19FN2O3S2 MW 490.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19FN2O3S2/c1-16-22(25(31)32-15-18-6-3-2-4-7-18)23(20-8-5-13-33-20)29-24(30)21(34-26(29)28-16)14-17-9-11-19(27)12-10-17/h2-14,23H,15H2,1H3/b21-14+InChIKey
SROJDHAIZZXPCF-KGENOOAVSA-NSynonyms
benzyl(2E)2((4fluorophenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
benzyl(2E)2(4fluorobenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)F)SC2=N1)C4=CC=CS4)C(=O)OCC5=CC=CC=C5
Fc1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCc1ccccc1)C
InChI=1SC26H19FN2O3S2c11622(25(31)3215186324718)23(2085133320)2924(30)21(3426(29)2816)141791119(27)121017h21423H15H21H3b2114+
MFCD03933110
ZINC000016713556
ZINC000016713558
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