Vitas-M small molecule compound
cycloheptyl 2-methyl-5-oxo-7-(thiophen-2-yl)-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK405319
SMILES O=C(C1=C(C)NC2=C(C1c1ccsc1)C(=O)CC(C2)c1cccs1)OC1CCCCCC1
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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 C26H29NO3S2 MW 467.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO3S2/c1-16-23(26(29)30-19-7-4-2-3-5-8-19)24(17-10-12-31-15-17)25-20(27-16)13-18(14-21(25)28)22-9-6-11-32-22/h6,9-12,15,18-19,24,27H,2-5,7-8,13-14H2,1H3InChIKey
NWWSKWRTDHVZIK-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CSC=C4)C(=O)OC5CCCCCC5
cycloheptyl2methyl5oxo7(thiophen2yl)4(thiophen3yl)145678hexahydroquinoline3carboxylate
cycloheptyl2methyl5oxo7thiophen2yl4thiophen3yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H29NO3S2c11623(26(29)301974235819)24(171012311517)2520(2716)1318(1421(25)28)2296113222h69121518192427H25781314H21H3
MFCD03999394
ZINC000001141031
ZINC000001141034
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