Vitas-M small molecule compound

2-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl](pyridin-3-ylmethyl)amino}-N-[4-(morpholin-4-yl)phenyl]-1,2,3,4,4a,9,9a,10-octahydroanthracene-2-carboxamide

Catalog ID
STL439315
SMILES O=C(N(C1(CCC2C(C1)Cc1c(C2)cccc1)C(=O)Nc1ccc(cc1)N1CCOCC1)Cc1cccnc1)CN1C(=O)c2c(C1=O)cccc2

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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 C41H41N5O5 MW 683.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C41H41N5O5/c47-37(27-45-38(48)35-9-3-4-10-36(35)39(45)49)46(26-28-6-5-17-42-25-28)41(16-15-31-22-29-7-1-2-8-30(29)23-32(31)24-41)40(50)43-33-11-13-34(14-12-33)44-18-20-51-21-19-44/h1-14,17,25,31-32H,15-16,18-24,26-27H2,(H,43,50)
InChIKey
MRJHOGFBTHJIGY-UHFFFAOYSA-N
Synonyms

2(((13dioxo13dihydro2Hisoindol2yl)acetyl)(pyridin3ylmethyl)amino)N(4(morpholin4yl)phenyl)12344a99a10octahydroanthracene2carboxamide
2((2(13DIOXOISOINDOL2YL)ACETYL)(PYRIDIN3YLMETHYL)AMINO)N(4MORPHOLIN4YLPHENYL)344A99A10HEXAHYDRO1HANTHRACENE2CARBOXAMIDE
C1CC(CC2C1CC3=CC=CC=C3C2)(C(=O)NC4=CC=C(C=C4)N5CCOCC5)N(CC6=CN=CC=C6)C(=O)CN7C(=O)C8=CC=CC=C8C7=O
InChI=1SC41H41N5O5c4737(274538(48)359341036(35)39(45)49)46(26286517422528)41(1615312229712830(29)2332(31)2441)40(50)4333111334(141233)44182051211944h11417253132H151618242627H2(H4350)
MFCD29709721
ZINC000150346540
ZINC000229774518

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Available files

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