Vitas-M small molecule compound
methyl (2E)-2-({[1-(4-chlorobenzyl)-5-oxopyrrolidin-3-yl]carbonyl}imino)-4-methyl-2,3-dihydro-1,3-thiazole-5-carboxylate
Catalog ID
STL317439
SMILES COC(=O)c1s/c(=N/C(=O)C2CC(=O)N(C2)Cc2ccc(cc2)Cl)/[nH]c1C
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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 C18H18ClN3O4S MW 407.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClN3O4S/c1-10-15(17(25)26-2)27-18(20-10)21-16(24)12-7-14(23)22(9-12)8-11-3-5-13(19)6-4-11/h3-6,12H,7-9H2,1-2H3,(H,20,21,24)InChIKey
LDCJJQVPCVGHPW-UHFFFAOYSA-NSynonyms
1401590-48-41401590484
CC1=C(SC(=N1)NC(=O)C2CC(=O)N(C2)CC3=CC=C(C=C3)Cl)C(=O)OC
COC(=O)c1sc(=NC(=O)C2CC(=O)N(C2)Cc2ccc(cc2)Cl)(nH)c1C
InChI=1SC18H18ClN3O4Sc11015(17(25)262)2718(2010)2116(24)12714(23)22(912)8113513(19)6411h3612H79H212H3(H202124)
methyl(2E)2(((1(4chlorobenzyl)5oxopyrrolidin3yl)carbonyl)imino)4methyl23dihydro13thiazole5carboxylate
methyl2((1((4chlorophenyl)methyl)5oxopyrrolidine3carbonyl)amino)4methyl13thiazole5carboxylate
MFCD28028380
ZINC000079464294
ZINC000079464298
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