Vitas-M small molecule compound

(2Z)-3-oxo-2-(2,3,4-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-yl 4-methoxybenzenesulfonate

Catalog ID
STK848624
SMILES COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(c(c1OC)OC)OC)/C2=O

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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 C25H22O9S MW 498.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22O9S/c1-29-16-6-9-18(10-7-16)35(27,28)34-17-8-11-19-21(14-17)33-22(23(19)26)13-15-5-12-20(30-2)25(32-4)24(15)31-3/h5-14H,1-4H3/b22-13-
InChIKey
CGVNFPIHFGOANH-XKZIYDEJSA-N
Synonyms
896836-09-2
((2Z)3OXO2((234TRIMETHOXYPHENYL)METHYLIDENE)1BENZOFURAN6YL)4METHOXYBENZENESULFONATE
(2Z)3oxo2(234trimethoxybenzylidene)23dihydro1benzofuran6yl4methoxybenzenesulfonate
(Z)3oxo2(234trimethoxybenzylidene)23dihydrobenzofuran6yl4methoxybenzenesulfonate
3OXO2((234TRIMETHOXYPHENYL)METHYLENE)BENZO(34B)FURAN6YL4METHOXYBENZENESULFONATE
3OXO2(234TRIMETHOXYBENZYLIDENE)23DIHYDRO1BENZOFURAN6YL4METHOXYBENZENESULFONATE
896836092
COC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=C(C(=C(C=C4)OC)OC)OC)O3
COc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)OC(=Cc1ccc(c(c1OC)OC)OC)C2=O
InChI=1SC25H22O9Sc129166918(10716)35(2728)34178111921(1417)3322(23(19)26)131551220(302)25(324)24(15)313h514H14H3b2213
MFCD06600319
ZINC000009347763
ZINC09347763
ZINC9347763

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Available files

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