Vitas-M small molecule compound

ethyl 2-{[(2E)-3-(5-bromothiophen-2-yl)-2-cyanoprop-2-enoyl]amino}thiophene-3-carboxylate

Catalog ID
STK473586
SMILES CCOC(=O)c1ccsc1NC(=O)/C(=C/c1ccc(s1)Br)/C#N

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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 C15H11BrN2O3S2 MW 411.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H11BrN2O3S2/c1-2-21-15(20)11-5-6-22-14(11)18-13(19)9(8-17)7-10-3-4-12(16)23-10/h3-7H,2H2,1H3,(H,18,19)/b9-7+
InChIKey
LDJZJRPSFYNQHJ-VQHVLOKHSA-N
Synonyms

CCOC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC=C(S2)Br)C#N
CCOC(=O)c1ccsc1NC(=O)C(=Cc1ccc(s1)Br)C#N
ethyl2(((2E)3(5bromothiophen2yl)2cyanoprop2enoyl)amino)thiophene3carboxylate
ethyl2(((E)3(5bromothiophen2yl)2cyanoprop2enoyl)amino)thiophene3carboxylate
ETHYL2((2E)3(5BROMO(2THIENYL))2CYANOPROP2ENOYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC15H11BrN2O3S2c122115(20)11562214(11)1813(19)9(817)7103412(16)2310h37H2H21H3(H1819)b97+
MFCD07093347
ZINC000017088777
ZINC17088777

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Available files

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