Vitas-M small molecule compound
(2Z)-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 1,3-benzodioxole-5-carboxylate
Catalog ID
STK921645
SMILES O=C1/C(=C/c2sccc2C)/Oc2c1ccc(c2)OC(=O)c1ccc2c(c1)OCO2
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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 C22H14O6S MW 406.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H14O6S/c1-12-6-7-29-20(12)10-19-21(23)15-4-3-14(9-17(15)28-19)27-22(24)13-2-5-16-18(8-13)26-11-25-16/h2-10H,11H2,1H3/b19-10-InChIKey
LZYMJBYMCQLZKV-GRSHGNNSSA-NSynonyms
622801-92-7((2Z)2((3METHYLTHIOPHEN2YL)METHYLIDENE)3OXO1BENZOFURAN6YL)13BENZODIOXOLE5CARBOXYLATE
(2Z)2((3methylthiophen2yl)methylidene)3oxo23dihydro1benzofuran6yl13benzodioxole5carboxylate
(Z)2((3methylthiophen2yl)methylene)3oxo23dihydrobenzofuran6ylbenzo(d)(13)dioxole5carboxylate
2((3METHYL(2THIENYL))METHYLENE)3OXOBENZO(34B)FURAN6YL2HBENZO(34D)13DIOXOLENE5CARBOXYLATE
622801927
CC1=C(SC=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC5=C(C=C4)OCO5
InChI=1SC22H14O6Sc112672920(12)101921(23)154314(917(15)2819)2722(24)13251618(813)26112516h210H11H21H3b1910
MFCD04193068
O=C1C(=Cc2sccc2C)Oc2c1ccc(c2)OC(=O)c1ccc2c(c1)OCO2
ZINC000013786428
ZINC13786428
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