Vitas-M small molecule compound
methyl (2Z)-[5-(azepan-1-yl)-4-cyano-3-oxothiophen-2(3H)-ylidene]ethanoate
Catalog ID
STL447774
SMILES COC(=O)/C=C/1\SC(=C(C1=O)C#N)N1CCCCCC1
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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 C14H16N2O3S MW 292.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2O3S/c1-19-12(17)8-11-13(18)10(9-15)14(20-11)16-6-4-2-3-5-7-16/h8H,2-7H2,1H3/b11-8-InChIKey
OZRQKGOUPSLZTM-FLIBITNWSA-NSynonyms
COC(=O)C=C1C(=O)C(=C(S1)N2CCCCCC2)C#N
COC(=O)C=C1SC(=C(C1=O)C#N)N1CCCCCC1
InChI=1SC14H16N2O3Sc11912(17)81113(18)10(915)14(2011)1664235716h8H27H21H3b118
methyl(2Z)(5(azepan1yl)4cyano3oxothiophen2(3H)ylidene)ethanoate
METHYL(2Z)2(5(AZEPAN1YL)4CYANO3OXOTHIOPHEN2YLIDENE)ACETATE
MFCD07773457
ZINC000001413140
ZINC1413140
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