Vitas-M small molecule compound
methyl (2Z)-2-[4-(methoxycarbonyl)benzylidene]-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL372405
SMILES COC(=O)c1ccc(cc1)/C=c/1\sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC)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 C22H18N2O5S2 MW 454.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N2O5S2/c1-12-17(21(27)29-3)18(15-5-4-10-30-15)24-19(25)16(31-22(24)23-12)11-13-6-8-14(9-7-13)20(26)28-2/h4-11,18H,1-3H3/b16-11-InChIKey
ZDQQISSRDBEIMG-WJDWOHSUSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)SC2=N1)C4=CC=CS4)C(=O)OC
COC(=O)c1ccc(cc1)C=c1sc2=NC(=C(C(n2c1=O)c1cccs1)C(=O)OC)C
InChI=1SC22H18N2O5S2c11217(21(27)293)18(1554103015)2419(25)16(3122(24)2312)11136814(9713)20(26)282h41118H13H3b1611
methyl(2Z)2((4methoxycarbonylphenyl)methylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2Z)2(4(methoxycarbonyl)benzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03213391
ZINC000098086662
ZINC000098086663
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