Vitas-M small molecule compound
(2Z)-3-oxo-2-(thiophen-2-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 2,6-dimethoxybenzoate
Catalog ID
STK923735
SMILES COc1cccc(c1C(=O)Oc1ccc2c(c1)O/C(=C\c1cccs1)/C2=O)OC
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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 C22H16O6S MW 408.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16O6S/c1-25-16-6-3-7-17(26-2)20(16)22(24)27-13-8-9-15-18(11-13)28-19(21(15)23)12-14-5-4-10-29-14/h3-12H,1-2H3/b19-12-InChIKey
WEWNSFPLQIGOCZ-UNOMPAQXSA-NSynonyms
844454-32-6((2Z)3OXO2(THIOPHEN2YLMETHYLIDENE)1BENZOFURAN6YL)26DIMETHOXYBENZOATE
(2Z)3oxo2(thiophen2ylmethylidene)23dihydro1benzofuran6yl26dimethoxybenzoate
(Z)3oxo2(thiophen2ylmethylene)23dihydrobenzofuran6yl26dimethoxybenzoate
3OXO2(2THIENYLMETHYLENE)BENZO(34B)FURAN6YL26DIMETHOXYBENZOATE
844454326
COC1=C(C(=CC=C1)OC)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=CS4)O3
COc1cccc(c1C(=O)Oc1ccc2c(c1)OC(=Cc1cccs1)C2=O)OC
InChI=1SC22H16O6Sc1251663717(262)20(16)22(24)2713891518(1113)2819(21(15)23)121454102914h312H12H3b1912
MFCD04157355
ZINC000005148716
ZINC05148716
ZINC5148716
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