Vitas-M small molecule compound

5-{[(2E)-3-(4-bromophenyl)prop-2-enoyl]amino}-4-cyano-N,N-diethyl-3-methylthiophene-2-carboxamide

Catalog ID
STK445270
SMILES CCN(C(=O)c1sc(c(c1C)C#N)NC(=O)/C=C/c1ccc(cc1)Br)CC

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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 C20H20BrN3O2S MW 446.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN3O2S/c1-4-24(5-2)20(26)18-13(3)16(12-22)19(27-18)23-17(25)11-8-14-6-9-15(21)10-7-14/h6-11H,4-5H2,1-3H3,(H,23,25)/b11-8+
InChIKey
ZPALRTVEYDKVEE-DHZHZOJOSA-N
Synonyms
355003-65-5
355003655
5(((2E)3(4bromophenyl)prop2enoyl)amino)4cyanoNNdiethyl3methylthiophene2carboxamide
5(((E)3(4BROMOPHENYL)PROP2ENOYL)AMINO)4CYANONNDIETHYL3METHYLTHIOPHENE2CARBOXAMIDE
5((3(4BROMOPHENYL)ACRYLOYL)AMINO)4CYANONNDIETHYL3METHYL2THIOPHENECARBOXAMIDE
CCN(C(=O)c1sc(c(c1C)C#N)NC(=O)C=Cc1ccc(cc1)Br)CC
CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C=CC2=CC=C(C=C2)Br)C#N)C
InChI=1SC20H20BrN3O2Sc1424(52)20(26)1813(3)16(1222)19(2718)2317(25)118146915(21)10714h611H45H213H3(H2325)b118+
MFCD01835519
ZINC000000671278
ZINC00671278
ZINC671278

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Available files

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