Vitas-M small molecule compound
2-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl](furan-2-ylmethyl)amino}-N-(2,4,6-trimethylphenyl)-1,2,3,4,4a,9,9a,10-octahydroanthracene-2-carboxamide
Catalog ID
STL439328
SMILES Cc1cc(C)c(c(c1)C)NC(=O)C1(CCC2C(C1)Cc1c(C2)cccc1)N(C(=O)CN1C(=O)c2c(C1=O)cccc2)Cc1ccco1
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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 C39H39N3O5 MW 629.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H39N3O5/c1-24-17-25(2)35(26(3)18-24)40-38(46)39(15-14-29-19-27-9-4-5-10-28(27)20-30(29)21-39)42(22-31-11-8-16-47-31)34(43)23-41-36(44)32-12-6-7-13-33(32)37(41)45/h4-13,16-18,29-30H,14-15,19-23H2,1-3H3,(H,40,46)InChIKey
QDPMOFUCAIGXIZ-UHFFFAOYSA-NSynonyms
2(((13dioxo13dihydro2Hisoindol2yl)acetyl)(furan2ylmethyl)amino)N(246trimethylphenyl)12344a99a10octahydroanthracene2carboxamide
2((2(13DIOXOISOINDOL2YL)ACETYL)(FURAN2YLMETHYL)AMINO)N(246TRIMETHYLPHENYL)344A99A10HEXAHYDRO1HANTHRACENE2CARBOXAMIDE
CC1=CC(=C(C(=C1)C)NC(=O)C2(CCC3CC4=CC=CC=C4CC3C2)N(CC5=CC=CO5)C(=O)CN6C(=O)C7=CC=CC=C7C6=O)C
InChI=1SC39H39N3O5c1241725(2)35(26(3)1824)4038(46)39(15142919279451028(27)2030(29)2139)42(2231118164731)34(43)234136(44)3212671333(32)37(41)45h41316182930H14151923H213H3(H4046)
MFCD29709734
ZINC000008748894
ZINC000254761332
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