Vitas-M small molecule compound

2-(propan-2-yloxy)ethyl 7-(2-methoxyphenyl)-2-methyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK079217
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1ccsc1)C(=O)OCCOC(C)C)C

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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 C27H31NO5S MW 481.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO5S/c1-16(2)32-10-11-33-27(30)24-17(3)28-21-13-19(20-7-5-6-8-23(20)31-4)14-22(29)26(21)25(24)18-9-12-34-15-18/h5-9,12,15-16,19,25,28H,10-11,13-14H2,1-4H3
InChIKey
AKRXFAMEACULNS-UHFFFAOYSA-N
Synonyms

2(propan2yloxy)ethyl7(2methoxyphenyl)2methyl5oxo4(thiophen3yl)145678hexahydroquinoline3carboxylate
2propan2yloxyethyl7(2methoxyphenyl)2methyl5oxo4thiophen3yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CSC=C4)C(=O)OCCOC(C)C
COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1ccsc1)C(=O)OCCOC(C)C)C
InChI=1SC27H31NO5Sc116(2)3210113327(30)2417(3)28211319(20756823(20)314)1422(29)26(21)25(24)18912341518h59121516192528H10111314H214H3
MFCD03145349
STK079217
ZINC000002788583
ZINC000002788586

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Available files

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