Vitas-M small molecule compound
4-[(abieta-8,11,13-trien-18-ylamino)methyl]benzoic acid
Catalog ID
STL445826
SMILES CC(c1ccc2c(c1)CCC1C2(C)CCC[C@@]1(C)CNCc1ccc(cc1)C(=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 C28H37NO2 MW 419.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37NO2/c1-19(2)22-10-12-24-23(16-22)11-13-25-27(3,14-5-15-28(24,25)4)18-29-17-20-6-8-21(9-7-20)26(30)31/h6-10,12,16,19,25,29H,5,11,13-15,17-18H2,1-4H3,(H,30,31)/t25?,27-,28?/m0/s1InChIKey
CQAXFWGFFLQWMP-QLADNINMSA-NSynonyms
4((((1R)14adimethyl7propan2yl23491010ahexahydrophenanthren1yl)methylamino)methyl)benzoicacid
4((abieta81113trien18ylamino)methyl)benzoicacid
CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CNCC4=CC=C(C=C4)C(=O)O)C
CC(c1ccc2c(c1)CCC1C2(C)CCC(C@@)1(C)CNCc1ccc(cc1)C(=O)O)C
InChI=1SC28H37NO2c119(2)2210122423(1622)11132527(31451528(2425)4)182917206821(9720)26(30)31h6101216192529H51113151718H214H3(H3031)t25?2728?m0s1
ZINC000004475394
ZINC000004942610
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