Vitas-M small molecule compound
2-[(Z)-(3-oxo-1-benzothiophen-2(3H)-ylidene)methyl]phenyl 3,4,5-trimethoxybenzoate
Catalog ID
STK869454
SMILES COc1cc(cc(c1OC)OC)C(=O)Oc1ccccc1/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 C25H20O6S MW 448.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20O6S/c1-28-19-12-16(13-20(29-2)24(19)30-3)25(27)31-18-10-6-4-8-15(18)14-22-23(26)17-9-5-7-11-21(17)32-22/h4-14H,1-3H3/b22-14-InChIKey
QFUAEIUSOXUDQZ-HMAPJEAMSA-NSynonyms
312939-19-8(2((Z)(3OXO1BENZOTHIOPHEN2YLIDENE)METHYL)PHENYL)345TRIMETHOXYBENZOATE
(Z)2((3oxobenzo(b)thiophen2(3H)ylidene)methyl)phenyl345trimethoxybenzoate
2((3OXOBENZO(B)THIOPHEN2YLIDENE)METHYL)PHENYL345TRIMETHOXYBENZOATE
2((Z)(3oxo1benzothiophen2(3H)ylidene)methyl)phenyl345trimethoxybenzoate
312939198
COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC=CC=C2C=C3C(=O)C4=CC=CC=C4S3
COc1cc(cc(c1OC)OC)C(=O)Oc1ccccc1C=C1Sc2c(C1=O)cccc2
InChI=1SC25H20O6Sc128191216(1320(292)24(19)303)25(27)31181064815(18)142223(26)179571121(17)3222h414H13H3b2214
MFCD01945545
ZINC000013306990
ZINC13306990
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