Vitas-M small molecule compound
methyl (2Z)-5-benzyl-2-{[(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetyl]imino}-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL311985
SMILES COC(=O)c1[nH]/c(=N/C(=O)CC2NC(=O)c3c2cccc3)/sc1Cc1ccccc1
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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 C22H19N3O4S MW 421.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O4S/c1-29-21(28)19-17(11-13-7-3-2-4-8-13)30-22(25-19)24-18(26)12-16-14-9-5-6-10-15(14)20(27)23-16/h2-10,16H,11-12H2,1H3,(H,23,27)(H,24,25,26)InChIKey
RHPVBGOSIWUTPS-UHFFFAOYSA-NSynonyms
1401591-68-11401591681
COC(=O)c1(nH)c(=NC(=O)CC2NC(=O)c3c2cccc3)sc1Cc1ccccc1
COC(=O)C1=C(SC(=N1)NC(=O)CC2C3=CC=CC=C3C(=O)N2)CC4=CC=CC=C4
InChI=1SC22H19N3O4Sc12921(28)1917(11137324813)3022(2519)2418(26)1216149561015(14)20(27)2316h21016H1112H21H3(H2327)(H242526)
methyl(2Z)5benzyl2(((3oxo23dihydro1Hisoindol1yl)acetyl)imino)23dihydro13thiazole4carboxylate
methyl5benzyl2((2(3oxo12dihydroisoindol1yl)acetyl)amino)13thiazole4carboxylate
MFCD28026405
ZINC000079476677
ZINC000079476683
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