Vitas-M small molecule compound
2-[(abieta-8,11,13-trien-18-ylamino)methyl]-4-nitrophenol
Catalog ID
STL445823
SMILES CC(c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)CNCc1cc(ccc1O)[N+](=O)[O-])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 C27H36N2O3 MW 436.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H36N2O3/c1-18(2)19-6-9-23-20(14-19)7-11-25-26(3,12-5-13-27(23,25)4)17-28-16-21-15-22(29(31)32)8-10-24(21)30/h6,8-10,14-15,18,25,28,30H,5,7,11-13,16-17H2,1-4H3/t25?,26-,27?/m0/s1InChIKey
ZBMNCDSLPYJJTF-QLLQDVQFSA-NSynonyms
2((((1R)14adimethyl7propan2yl23491010ahexahydrophenanthren1yl)methylamino)methyl)4nitrophenol
2((abieta81113trien18ylamino)methyl)4nitrophenol
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNCC4=C(C=CC(=C4)(N+)(=O)(O))O)C
CC(c1ccc2c(c1)CCC1C2(C)CCC(C@@)1(C)CNCc1cc(ccc1O)(N+)(=O)(O))C
InChI=1SC27H36N2O3c118(2)19692320(1419)7112526(31251327(2325)4)172816211522(29(31)32)81024(21)30h6810141518252830H5711131617H214H3t25?2627?m0s1
ZINC000008453510
ZINC000033680487
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