Vitas-M small molecule compound
(2Z)-2-(3-bromo-5-ethoxy-4-methoxybenzylidene)-1-benzothiophen-3(2H)-one
Catalog ID
STL380975
SMILES CCOc1cc(cc(c1OC)Br)/C=C/1\Sc2c(C1=O)cccc2
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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 C18H15BrO3S MW 391.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrO3S/c1-3-22-14-9-11(8-13(19)18(14)21-2)10-16-17(20)12-6-4-5-7-15(12)23-16/h4-10H,3H2,1-2H3/b16-10-InChIKey
BNPQASJKGNKMIV-YBEGLDIGSA-NSynonyms
(2Z)2((3bromo5ethoxy4methoxyphenyl)methylidene)1benzothiophen3one
(2Z)2(3bromo5ethoxy4methoxybenzylidene)1benzothiophen3(2H)one
CCOC1=C(C(=CC(=C1)C=C2C(=O)C3=CC=CC=C3S2)Br)OC
CCOc1cc(cc(c1OC)Br)C=C1Sc2c(C1=O)cccc2
InChI=1SC18H15BrO3Sc132214911(813(19)18(14)212)101617(20)12645715(12)2316h410H3H212H3b1610
MFCD02268329
ZINC000015009500
ZINC15009500
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