Vitas-M small molecule compound
ethyl (2Z)-2-({[1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbonyl}imino)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL160200
SMILES CCOC(=O)c1cs/c(=N\C(=O)C2CC(=O)N(C2)c2ccc(c(c2)Cl)F)/[nH]1
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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 C17H15ClFN3O4S MW 411.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15ClFN3O4S/c1-2-26-16(25)13-8-27-17(20-13)21-15(24)9-5-14(23)22(7-9)10-3-4-12(19)11(18)6-10/h3-4,6,8-9H,2,5,7H2,1H3,(H,20,21,24)InChIKey
YKJPIACFNTYXLF-UHFFFAOYSA-NSynonyms
1310946-85-01310946850
CCOC(=O)C1=CSC(=N1)NC(=O)C2CC(=O)N(C2)C3=CC(=C(C=C3)F)Cl
CCOC(=O)c1csc(=NC(=O)C2CC(=O)N(C2)c2ccc(c(c2)Cl)F)(nH)1
ethyl(2Z)2(((1(3chloro4fluorophenyl)5oxopyrrolidin3yl)carbonyl)imino)23dihydro13thiazole4carboxylate
ethyl2((1(3chloro4fluorophenyl)5oxopyrrolidine3carbonyl)amino)13thiazole4carboxylate
InChI=1SC17H15ClFN3O4Sc122616(25)1382717(2013)2115(24)9514(23)22(79)103412(19)11(18)610h34689H257H21H3(H202124)
MFCD20758931
ZINC000071281943
ZINC000071281945
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