Vitas-M small molecule compound
methyl 5-[(5xi)-abieta-8,11,13-trien-18-yl]-3-hydroxy-5H-pyrazolo[4,3-c]pyridine-7-carboxylate
Catalog ID
STL548231
SMILES COC(=O)c1cn(cc2c1nnc2O)C[C@]1(C)CCC[C@]2(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 C28H35N3O3 MW 461.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N3O3/c1-17(2)18-7-9-22-19(13-18)8-10-23-27(3,11-6-12-28(22,23)4)16-31-14-20-24(29-30-25(20)32)21(15-31)26(33)34-5/h7,9,13-15,17,23H,6,8,10-12,16H2,1-5H3,(H,30,32)/t23?,27-,28+/m0/s1InChIKey
BJFMLQOTWLSHOA-WHWDJVTISA-NSynonyms
122170140
InChI=1SC28H35N3O3c117(2)18792219(1318)8102327(31161228(2223)4)1631142024(293025(20)32)21(1531)26(33)345h7913151723H68101216H215H3(H3032)t23?2728+m0s1
methyl5(((1~(R)4~(a)~(S))14~(a)dimethyl7propan2yl23491010~(a)hexahydrophenanthren1yl)methyl)3oxo2~(H)pyrazolo(43c)pyridine7carboxylate
methyl5((5xi)abieta81113trien18yl)3hydroxy5Hpyrazolo(43c)pyridine7carboxylate
ZINC000253397053
ZINC000409415337
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