Vitas-M small molecule compound
ethyl [(2E)-2-{[(4-hydroxy-2-oxo-1-propyl-1,2,5,6,7,8-hexahydroquinolin-3-yl)carbonyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]acetate
Catalog ID
STK846812
SMILES CCOC(=O)Cc1cs/c(=N/C(=O)c2c(O)c3CCCCc3n(c2=O)CCC)/[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 C20H25N3O5S MW 419.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N3O5S/c1-3-9-23-14-8-6-5-7-13(14)17(25)16(19(23)27)18(26)22-20-21-12(11-29-20)10-15(24)28-4-2/h11,25H,3-10H2,1-2H3,(H,21,22,26)InChIKey
LLGALXWOOJUQKZ-UHFFFAOYSA-NSynonyms
423146-44-5423146445
CCCN1C2=C(CCCC2)C(=C(C1=O)C(=O)NC3=NC(=CS3)CC(=O)OCC)O
CCOC(=O)Cc1csc(=NC(=O)c2c(O)c3CCCCc3n(c2=O)CCC)(nH)1
ethyl((2E)2(((4hydroxy2oxo1propyl125678hexahydroquinolin3yl)carbonyl)imino)23dihydro13thiazol4yl)acetate
ethyl2(2((4hydroxy2oxo1propyl5678tetrahydroquinoline3carbonyl)amino)13thiazol4yl)acetate
InChI=1SC20H25N3O5Sc1392314865713(14)17(25)16(19(23)27)18(26)22202112(112920)1015(24)2842h1125H310H212H3(H212226)
MFCD03811209
ZINC000018152537
ZINC18152537
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