Vitas-M small molecule compound
2-(propan-2-yloxy)ethyl 2-methyl-5-oxo-4-(4-oxo-4H-chromen-3-yl)-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK036877
SMILES CC(OCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)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 C29H29NO6S MW 519.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29NO6S/c1-16(2)34-10-11-35-29(33)25-17(3)30-21-13-18(24-9-6-12-37-24)14-22(31)27(21)26(25)20-15-36-23-8-5-4-7-19(23)28(20)32/h4-9,12,15-16,18,26,30H,10-11,13-14H2,1-3H3InChIKey
XWRZPWDTGSMSLJ-UHFFFAOYSA-NSynonyms
2(propan2yloxy)ethyl2methyl5oxo4(4oxo4Hchromen3yl)7(thiophen2yl)145678hexahydroquinoline3carboxylate
2propan2yloxyethyl2methyl5oxo4(4oxochromen3yl)7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
CC(OCCOC(=O)C1=C(C)NC2=C(C1c1coc3c(c1=O)cccc3)C(=O)CC(C2)c1cccs1)C
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=COC5=CC=CC=C5C4=O)C(=O)OCCOC(C)C
InChI=1SC29H29NO6Sc116(2)3410113529(33)2517(3)30211318(2496123724)1422(31)27(21)26(25)20153623854719(23)28(20)32h49121516182630H10111314H213H3
MFCD03370953
STK036877
ZINC000002731681
ZINC000002731684
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