Vitas-M small molecule compound

methyl 2,3-didehydroaspidospermidine-3-carboxylate

Catalog ID
STK094845
SMILES COC(=O)C1=C2Nc3c(C42C2C(C1)(CC)CCCN2CC4)cccc3

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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 C21H26N2O2 MW 338.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-5,7-8,19,22H,3,6,9-13H2,1-2H3
InChIKey
GIGFIWJRTMBSRP-UHFFFAOYSA-N
Synonyms
15539-10-3
()VINCADIFFORMINE
15539103
ASPIDOSPERMIDINE3CARBOXYLICACID23DIDEHYDROMETHYLESTER(5ALPHA12BETA19ALPHA)
CCC12CCCN3C1C4(CC3)C5=CC=CC=C5NC4=C(C2)C(=O)OC
COC(=O)C1=C2Nc3c(C42C2C(C1)(CC)CCCN2CC4)cccc3
InChI=1SC21H26N2O2c1320961123121021(19(20)23)15745816(15)2217(21)14(1320)18(24)252h45781922H36913H212H3
METHYL(5ALPHA12BETA19ALPHA)23DIDEHYDROASPIDOSPERMIDINE3CARBOXYLATE
METHYL23DIDEHYDROASPIDOSPERMIDINE3CARBOXYLATE
MFCD01079902
STK094845
TABERSONINE67DIHYDRO
ZINC000000525687
ZINC000101124863

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.