Vitas-M small molecule compound

1-(1,3-benzodioxol-5-yl)-N-[2-(3-fluorophenyl)ethyl]-9H-beta-carboline-3-carboxamide

Catalog ID
STL516431
SMILES Fc1cccc(c1)CCNC(=O)c1nc(c2ccc3c(c2)OCO3)c2c(c1)c1ccccc1[nH]2

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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 C27H20FN3O3 MW 453.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H20FN3O3/c28-18-5-3-4-16(12-18)10-11-29-27(32)22-14-20-19-6-1-2-7-21(19)30-26(20)25(31-22)17-8-9-23-24(13-17)34-15-33-23/h1-9,12-14,30H,10-11,15H2,(H,29,32)
InChIKey
RTNXAJWXCVFVJM-UHFFFAOYSA-N
Synonyms
864762-96-9
1(13benzodioxol5yl)~(N)(2(3fluorophenyl)ethyl)9~(H)pyrido(34b)indole3carboxamide
1(13benzodioxol5yl)N(2(3fluorophenyl)ethyl)9Hbetacarboline3carboxamide
1(13BENZODIOXOL5YL)N(2(3FLUOROPHENYL)ETHYL)9HPYRIDO(34B)INDOLE3CARBOXAMIDE
1(benzo(d)(13)dioxol5yl)N(3fluorophenethyl)9Hpyrido(34b)indole3carboxamide
6236140
864762969
Fc1cccc(c1)CCNC(=O)c1nc(c2ccc3c(c2)OCO3)c2c(c1)c1ccccc1(nH)2
InChI=1SC27H20FN3O3c281853416(1218)10112927(32)22142019612721(19)3026(20)25(3122)17892324(1317)34153323h19121430H101115H2(H2932)
MFCD06768718
ZINC000012885907
ZINC12885907

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Available files

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