Vitas-M small molecule compound
ethyl [(2E)-2-({[4-hydroxy-1-(2-methylpropyl)-2-oxo-1,2,5,6,7,8-hexahydroquinolin-3-yl]carbonyl}imino)-2,3-dihydro-1,3-thiazol-4-yl]acetate
Catalog ID
STK598542
SMILES CCOC(=O)Cc1cs/c(=N/C(=O)c2c(O)c3CCCCc3n(c2=O)CC(C)C)/[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 C21H27N3O5S MW 433.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O5S/c1-4-29-16(25)9-13-11-30-21(22-13)23-19(27)17-18(26)14-7-5-6-8-15(14)24(20(17)28)10-12(2)3/h11-12,26H,4-10H2,1-3H3,(H,22,23,27)InChIKey
YBJHLTVEIBSAAQ-UHFFFAOYSA-NSynonyms
423146-34-3423146343
CCOC(=O)CC1=CSC(=N1)NC(=O)C2=C(C3=C(CCCC3)N(C2=O)CC(C)C)O
CCOC(=O)Cc1csc(=NC(=O)c2c(O)c3CCCCc3n(c2=O)CC(C)C)(nH)1
ethyl((2E)2(((4hydroxy1(2methylpropyl)2oxo125678hexahydroquinolin3yl)carbonyl)imino)23dihydro13thiazol4yl)acetate
ethyl2(2((4hydroxy1(2methylpropyl)2oxo5678tetrahydroquinoline3carbonyl)amino)13thiazol4yl)acetate
InChI=1SC21H27N3O5Sc142916(25)913113021(2213)2319(27)1718(26)14756815(14)24(20(17)28)1012(2)3h111226H410H213H3(H222327)
MFCD07205041
ZINC000015990388
ZINC15990388
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