Vitas-M small molecule compound

methyl 3,4-didehydroibogamine-18-carboxylate

Catalog ID
STK370495
SMILES CCC1=CC2CN3C1C(C2)(C(=O)OC)c1[nH]c2c(c1CC3)cccc2

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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 C21H24N2O2 MW 336.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3
InChIKey
CMKFQVZJOWHHDV-UHFFFAOYSA-N
Synonyms

(6R6aR)methyl7ethyl66a9101213hexahydro5H69methanopyrido(1212)azepino(45b)indole6carboxylate
CATHARANTHINE
CATHARANTHINEHCL
CATHARANTHINEMONOHYDROCHLORIDE
CCC1=CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC
CCC1=CC2CN3(C@H)1(C@@)(C2)(C(=O)OC)c1(nH)c2c(c1CC3)cccc2
CCC1=CC2CN3C1C(C2)(C(=O)OC)c1(nH)c2c(c1CC3)cccc2
IBOGAMINE18CARBOXYLICACID34DIDEHYDROMETHYLESTER(2ALPHA5BETA6ALPHA18BETA)
InChI=1SC21H24N2O2c131410131121(20(24)252)1816(8923(1213)19(14)21)15645717(15)2218h4710131922H3891112H212H3
METHYL(5BETA18BETA)34DIDEHYDROIBOGAMINE18CARBOXYLATE
methyl34didehydroibogamine18carboxylate
METHYL34DIDEHYDROIBOGAMINE18CARBOXYLATEHYDROCHLORIDE
MFCD01009835
SULFURICACIDCOMPOUNDWITHMETHYL34DIDEHYDROIBOGAMINE18CARBOXYLATE(11)
ZINC000100008247

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Available files

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