Vitas-M small molecule compound
methyl 1-(3-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate
Catalog ID
STK630918
SMILES COC(=O)C1NC(c2ccc(c(c2)COc2cc(C)c(cc2C(C)C)Cl)OC)c2c(C1)c1ccccc1[nH]2
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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 C31H33ClN2O4 MW 533.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33ClN2O4/c1-17(2)22-14-24(32)18(3)12-28(22)38-16-20-13-19(10-11-27(20)36-4)29-30-23(15-26(34-29)31(35)37-5)21-8-6-7-9-25(21)33-30/h6-14,17,26,29,33-34H,15-16H2,1-5H3InChIKey
WESFRCNYBJTESB-UHFFFAOYSA-NSynonyms
(3S)methyl1(3((4chloro2isopropyl5methylphenoxy)methyl)4methoxyphenyl)2349tetrahydro1Hpyrido(34b)indole3carboxylate
CC1=CC(=C(C=C1Cl)C(C)C)OCC2=C(C=CC(=C2)C3C4=C(CC(N3)C(=O)OC)C5=CC=CC=C5N4)OC
COC(=O)(C@H)1NC(c2ccc(c(c2)COc2cc(C)c(cc2C(C)C)Cl)OC)c2c(C1)c1ccccc1(nH)2
COC(=O)C1NC(c2ccc(c(c2)COc2cc(C)c(cc2C(C)C)Cl)OC)c2c(C1)c1ccccc1(nH)2
InChI=1SC31H33ClN2O4c117(2)221424(32)18(3)1228(22)3816201319(101127(20)364)293023(1526(3429)31(35)375)21867925(21)3330h6141726293334H1516H215H3
methyl1(3((4chloro5methyl2(propan2yl)phenoxy)methyl)4methoxyphenyl)2349tetrahydro1Hbetacarboline3carboxylate
methyl1(3((4chloro5methyl2propan2ylphenoxy)methyl)4methoxyphenyl)2349tetrahydro1Hpyrido(34b)indole3carboxylate
MFCD02185024
ZINC000013813693
ZINC000034720439
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.