Vitas-M small molecule compound
2-(propan-2-yloxy)ethyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402973
SMILES CC(OCCOC(=O)C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1cccs1)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 C27H29NO6S MW 495.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO6S/c1-15(2)31-8-9-32-27(30)24-16(3)28-19-11-18(23-5-4-10-35-23)12-20(29)26(19)25(24)17-6-7-21-22(13-17)34-14-33-21/h4-7,10,13,15,18,25,28H,8-9,11-12,14H2,1-3H3InChIKey
CGFIHHSTMNCYRO-UHFFFAOYSA-NSynonyms
2(propan2yloxy)ethyl4(13benzodioxol5yl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
2propan2yloxyethyl4(13benzodioxol5yl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC5=C(C=C4)OCO5)C(=O)OCCOC(C)C
InChI=1SC27H29NO6Sc115(2)31893227(30)2416(3)28191118(2354103523)1220(29)26(19)25(24)17672122(1317)34143321h47101315182528H89111214H213H3
MFCD03370998
ZINC000002727171
ZINC000002727174
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