Vitas-M small molecule compound
benzyl (2E)-2-(3-chlorobenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798982
SMILES Clc1cccc(c1)/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 C26H19ClN2O3S2 MW 507.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H19ClN2O3S2/c1-16-22(25(31)32-15-17-7-3-2-4-8-17)23(20-11-6-12-33-20)29-24(30)21(34-26(29)28-16)14-18-9-5-10-19(27)13-18/h2-14,23H,15H2,1H3/b21-14+InChIKey
NRIKZOCIFMIOKG-KGENOOAVSA-NSynonyms
benzyl(2E)2((3chlorophenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
benzyl(2E)2(3chlorobenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC(=CC=C3)Cl)SC2=N1)C4=CC=CS4)C(=O)OCC5=CC=CC=C5
Clc1cccc(c1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OCc1ccccc1)C
InChI=1SC26H19ClN2O3S2c11622(25(31)3215177324817)23(20116123320)2924(30)21(3426(29)2816)1418951019(27)1318h21423H15H21H3b2114+
MFCD03417961
ZINC000016700594
ZINC000016700597
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