Vitas-M small molecule compound
(5Z)-2-(azepan-1-yl)-5-(3,4-dimethoxybenzylidene)-1,3-thiazol-4(5H)-one
Catalog ID
STK795333
SMILES COc1cc(ccc1OC)/C=C/1\SC(=NC1=O)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 C18H22N2O3S MW 346.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N2O3S/c1-22-14-8-7-13(11-15(14)23-2)12-16-17(21)19-18(24-16)20-9-5-3-4-6-10-20/h7-8,11-12H,3-6,9-10H2,1-2H3/b16-12-InChIKey
NYVZRBBHPIUTQS-VBKFSLOCSA-NSynonyms
(5Z)2(AZEPAN1YL)5((34DIMETHOXYPHENYL)METHYLIDENE)13THIAZOL4ONE
(5Z)2(azepan1yl)5(34dimethoxybenzylidene)13thiazol4(5H)one
COC1=C(C=C(C=C1)C=C2C(=O)N=C(S2)N3CCCCCC3)OC
COc1cc(ccc1OC)C=C1SC(=NC1=O)N1CCCCCC1
InChI=1SC18H22N2O3Sc122148713(1115(14)232)121617(21)1918(2416)20953461020h781112H36910H212H3b1612
MFCD02212243
ZINC000013547676
ZINC13547676
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