Vitas-M small molecule compound

methyl 7-methoxy-2-[({2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl}carbonyl)amino]-4,5-dihydronaphtho[2,1-b]thiophene-1-carboxylate

Catalog ID
STK428817
SMILES COC(=O)c1c(NC(=O)c2cc(nc3c2cccc3)c2cccc(c2)OCC(C)C)sc2c1c1ccc(cc1CC2)OC

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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 C35H32N2O5S MW 592.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H32N2O5S/c1-20(2)19-42-24-9-7-8-22(17-24)29-18-27(26-10-5-6-11-28(26)36-29)33(38)37-34-32(35(39)41-4)31-25-14-13-23(40-3)16-21(25)12-15-30(31)43-34/h5-11,13-14,16-18,20H,12,15,19H2,1-4H3,(H,37,38)
InChIKey
CNVROHPOZRNWMW-UHFFFAOYSA-N
Synonyms

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCC6=C5C=CC(=C6)OC)C(=O)OC
InChI=1SC35H32N2O5Sc120(2)19422497822(1724)291827(2610561128(26)3629)33(38)373432(35(39)414)3125141323(403)1621(25)121530(31)4334h5111314161820H121519H214H3(H3738)
METHYL2(((2(3ISOBUTOXYPHENYL)4QUINOLINYL)CARBONYL)AMINO)7METHOXY45DIHYDRONAPHTHO(21B)THIOPHENE1CARBOXYLATE
methyl7methoxy2(((2(3(2methylpropoxy)phenyl)quinolin4yl)carbonyl)amino)45dihydronaphtho(21b)thiophene1carboxylate
METHYL7METHOXY2((2(3(2METHYLPROPOXY)PHENYL)(4QUINOLYL))CARBONYLAMINO)45DIHYDROBENZO(E)BENZO(B)THIOPHENECARBOXYLATE
METHYL7METHOXY2((2(3(2METHYLPROPOXY)PHENYL)QUINOLINE4CARBONYL)AMINO)45DIHYDROBENZO(E)(1)BENZOTHIOLE1CARBOXYLATE
MFCD03233353
ZINC000002794881
ZINC02794881
ZINC2794881

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.