Vitas-M small molecule compound
3-(abieta-8,11,13-trien-18-ylamino)-2-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-isoindol-1-one
Catalog ID
STK024539
SMILES O=C1N(CC2CCCO2)C(c2c1cccc2)NCC1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)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 C33H44N2O2 MW 500.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N2O2/c1-22(2)23-12-14-28-24(19-23)13-15-29-32(3,16-8-17-33(28,29)4)21-34-30-26-10-5-6-11-27(26)31(36)35(30)20-25-9-7-18-37-25/h5-6,10-12,14,19,22,25,29-30,34H,7-9,13,15-18,20-21H2,1-4H3InChIKey
AFNBJAYDGOHJLH-UHFFFAOYSA-NSynonyms
3((14adimethyl7propan2yl23491010ahexahydrophenanthren1yl)methylamino)2(oxolan2ylmethyl)3Hisoindol1one
3(abieta81113trien18ylamino)2(tetrahydrofuran2ylmethyl)23dihydro1Hisoindol1one
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNC4C5=CC=CC=C5C(=O)N4CC6CCCO6)C
InChI=1SC33H44N2O2c122(2)2312142824(1923)13152932(31681733(2829)4)2134302610561127(26)31(36)35(30)202597183725h56101214192225293034H791315182021H214H3
MFCD08049991
O=C1N(CC2CCCO2)C(c2c1cccc2)NCC1(C)CCCC2(C1CCc1c2ccc(c1)C(C)C)C
STK024539
ZINC000036157517
ZINC000238997396
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