Vitas-M small molecule compound

ethyl (2E)-3-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]but-2-enoate

Catalog ID
STL238185
SMILES CCOC(=O)/C=C(/Nc1sc2c(c1C#N)CCCCC2)\C

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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 C16H20N2O2S MW 304.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O2S/c1-3-20-15(19)9-11(2)18-16-13(10-17)12-7-5-4-6-8-14(12)21-16/h9,18H,3-8H2,1-2H3/b11-9+
InChIKey
DHFOBBIXYWTJFV-PKNBQFBNSA-N
Synonyms
70291-53-1
(E)ethyl3((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)but2enoate
70291531
CCOC(=O)C=C(C)NC1=C(C2=C(S1)CCCCC2)C#N
CCOC(=O)C=C(Nc1sc2c(c1C#N)CCCCC2)C
ethyl(2E)3((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)but2enoate
ethyl(E)3((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)but2enoate
InChI=1SC16H20N2O2Sc132015(19)911(2)181613(1017)127546814(12)2116h918H38H212H3b119+
MFCD02236670
ZINC000005180633
ZINC05180633
ZINC5180633

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Available files

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