Vitas-M small molecule compound

ethyl 2-methyl-1-phenyl-5-(prop-2-yn-1-yloxy)-1H-indole-3-carboxylate

Catalog ID
STL437458
SMILES CCOC(=O)c1c(C)n(c2c1cc(OCC#C)cc2)c1ccccc1

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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 C21H19NO3 MW 333.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO3/c1-4-13-25-17-11-12-19-18(14-17)20(21(23)24-5-2)15(3)22(19)16-9-7-6-8-10-16/h1,6-12,14H,5,13H2,2-3H3
InChIKey
CZLQSNWGPFLYJI-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC#C)C3=CC=CC=C3)C
ethyl2methyl1phenyl5(prop2yn1yloxy)1Hindole3carboxylate
ETHYL2METHYL1PHENYL5(PROP2YNYLOXY)1HINDOLE3CARBOXYLATE
ETHYL2METHYL1PHENYL5PROP2YNOXYINDOLE3CARBOXYLATE
InChI=1SC21H19NO3c1413251711121918(1417)20(21(23)2452)15(3)22(19)1697681016h161214H513H223H3
MFCD06244747
ZINC000003772585
ZINC3772585

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Available files

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