Vitas-M small molecule compound

(2E)-N-[(5-chloro-1H-indol-2-yl)methyl]-3-{3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl}prop-2-enamide

Catalog ID
STL176343
SMILES COc1ccc(cc1COc1ccc(cc1)Cl)/C=C/C(=O)NCc1[nH]c2c(c1)cc(cc2)Cl

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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 C26H22Cl2N2O3 MW 481.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22Cl2N2O3/c1-32-25-10-2-17(12-19(25)16-33-23-7-4-20(27)5-8-23)3-11-26(31)29-15-22-14-18-13-21(28)6-9-24(18)30-22/h2-14,30H,15-16H2,1H3,(H,29,31)/b11-3+
InChIKey
KOLBNYNBYIBMAE-QDEBKDIKSA-N
Synonyms
723253-17-6
(2E)N((5chloro1Hindol2yl)methyl)3(3((4chlorophenoxy)methyl)4methoxyphenyl)prop2enamide
(2E)N((5CHLOROINDOL2YL)METHYL)3(3((4CHLOROPHENOXY)METHYL)4METHOXYPHENYL)PROP2ENAMIDE
(E)N((5CHLORO1HINDOL2YL)METHYL)3(3((4CHLOROPHENOXY)METHYL)4METHOXYPHENYL)PROP2ENAMIDE
723253176
COC1=C(C=C(C=C1)C=CC(=O)NCC2=CC3=C(N2)C=CC(=C3)Cl)COC4=CC=C(C=C4)Cl
COc1ccc(cc1COc1ccc(cc1)Cl)C=CC(=O)NCc1(nH)c2c(c1)cc(cc2)Cl
InChI=1SC26H22Cl2N2O3c1322510217(1219(25)1633237420(27)5823)31126(31)29152214181321(28)6924(18)3022h21430H1516H21H3(H2931)b113+
MFCD04048439
N((5CHLORO1HINDOL2YL)METHYL)3(3((4CHLOROPHENOXY)METHYL)4METHOXYPHENYL)ACRYLAMIDE
ZINC000002739497
ZINC02739497
ZINC2739497

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Available files

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