Vitas-M small molecule compound
(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 5-ethoxy-2-methyl-1-benzofuran-3-carboxylate
Catalog ID
STK923574
SMILES CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)O/C(=C\c1cccs1)/C3=O)c(o2)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 C25H18O6S MW 446.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18O6S/c1-3-28-15-7-9-20-19(11-15)23(14(2)29-20)25(27)30-16-6-8-18-21(12-16)31-22(24(18)26)13-17-5-4-10-32-17/h4-13H,3H2,1-2H3/b22-13-InChIKey
PDVMNHZCDQBURL-XKZIYDEJSA-NSynonyms
848728-15-4((2Z)3OXO2(THIOPHEN2YLMETHYLIDENE)1BENZOFURAN6YL)5ETHOXY2METHYL1BENZOFURAN3CARBOXYLATE
(2Z)3oxo2(thiophen2ylmethylidene)23dihydro1benzofuran6yl5ethoxy2methyl1benzofuran3carboxylate
(Z)3oxo2(thiophen2ylmethylene)23dihydrobenzofuran6yl5ethoxy2methylbenzofuran3carboxylate
3OXO2(2THIENYLMETHYLENE)BENZO(34B)FURAN6YL5ETHOXY2METHYLBENZO(B)FURAN3CARBOXYLATE
848728154
CCOC1=CC2=C(C=C1)OC(=C2C(=O)OC3=CC4=C(C=C3)C(=O)C(=CC5=CC=CS5)O4)C
CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)OC(=Cc1cccs1)C3=O)c(o2)C
InChI=1SC25H18O6Sc132815792019(1115)23(14(2)2920)25(27)3016681821(1216)3122(24(18)26)131754103217h413H3H212H3b2213
MFCD04193620
ZINC000011868688
ZINC11868688
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