Vitas-M small molecule compound
4-({(2R,3S,4S)-2-ethyl-1-[(4-methoxyphenyl)carbonyl]-3-methyl-1,2,3,4-tetrahydroquinolin-4-yl}amino)phenyl thiocyanate
Catalog ID
STK052747
SMILES CC[C@@H]1[C@@H](C)[C@H](Nc2ccc(cc2)SC#N)c2c(N1C(=O)c1ccc(cc1)OC)cccc2
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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 C27H27N3O2S MW 457.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O2S/c1-4-24-18(2)26(29-20-11-15-22(16-12-20)33-17-28)23-7-5-6-8-25(23)30(24)27(31)19-9-13-21(32-3)14-10-19/h5-16,18,24,26,29H,4H2,1-3H3/t18-,24-,26+/m1/s1InChIKey
MISAQJJJNQPHBP-UFKXBGGNSA-NSynonyms
(4(((2R3S4S)2ethyl1(4methoxybenzoyl)3methyl34dihydro2Hquinolin4yl)amino)phenyl)thiocyanate
4(((2R3S4S)2ethyl1((4methoxyphenyl)carbonyl)3methyl1234tetrahydroquinolin4yl)amino)phenylthiocyanate
CC(C@@H)1(C@@H)(C)(C@H)(Nc2ccc(cc2)SC#N)c2c(N1C(=O)c1ccc(cc1)OC)cccc2
CCC1C(C(C2=CC=CC=C2N1C(=O)C3=CC=C(C=C3)OC)NC4=CC=C(C=C4)SC#N)C
InChI=1SC27H27N3O2Sc142418(2)26(2920111522(161220)331728)23756825(23)30(24)27(31)1991321(323)141019h51618242629H4H213H3t182426+m1s1
MFCD13368346
STK052747
ZINC000009435199
ZINC09435199
ZINC9435199
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