Vitas-M small molecule compound
propan-2-yl 2-[({2-[3-(2-methylpropoxy)phenyl]quinolin-4-yl}carbonyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate
Catalog ID
STK428586
SMILES CC(COc1cccc(c1)c1nc2ccccc2c(c1)C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCCCCCCCC2)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 C38H46N2O4S MW 626.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H46N2O4S/c1-25(2)24-43-28-17-15-16-27(22-28)33-23-31(29-18-13-14-20-32(29)39-33)36(41)40-37-35(38(42)44-26(3)4)30-19-11-9-7-5-6-8-10-12-21-34(30)45-37/h13-18,20,22-23,25-26H,5-12,19,21,24H2,1-4H3,(H,40,41)InChIKey
JGDPLNVUBKGKQI-UHFFFAOYSA-NSynonyms
CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCCCCCCC5)C(=O)OC(C)C
InChI=1SC38H46N2O4Sc125(2)24432817151627(2228)332331(291813142032(29)3933)36(41)403735(38(42)4426(3)4)3019119756810122134(30)4537h13182022232526H512192124H214H3(H4041)
MFCD03233952
propan2yl2(((2(3(2methylpropoxy)phenyl)quinolin4yl)carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
propan2yl2((2(3(2methylpropoxy)phenyl)quinoline4carbonyl)amino)45678910111213decahydrocyclododeca(b)thiophene3carboxylate
ZINC000097948994
ZINC97948994
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