Vitas-M small molecule compound

(2Z)-2-(3,4-dimethoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzenesulfonate

Catalog ID
STK858449
SMILES COc1cc(ccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OS(=O)(=O)c1ccc(cc1)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 C24H20O7S MW 452.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20O7S/c1-15-4-8-18(9-5-15)32(26,27)31-17-7-10-19-21(14-17)30-23(24(19)25)13-16-6-11-20(28-2)22(12-16)29-3/h4-14H,1-3H3/b23-13-
InChIKey
XHHOZOBLBKLNMC-QRVIBDJDSA-N
Synonyms
879923-29-2
((2Z)2((34dimethoxyphenyl)methylidene)3oxo1benzofuran6yl)4methylbenzenesulfonate
(2Z)2(34dimethoxybenzylidene)3oxo23dihydro1benzofuran6yl4methylbenzenesulfonate
(Z)2(34dimethoxybenzylidene)3oxo23dihydrobenzofuran6yl4methylbenzenesulfonate
2((34DIMETHOXYPHENYL)METHYLENE)3OXOBENZO(34B)FURAN6YL4METHYLBENZENESULFONATE
2(34DIMETHOXYBENZYLIDENE)3OXO23DIHYDRO1BENZOFURAN6YL4METHYLBENZENESULFONATE
879923292
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=C(C=C4)OC)OC)O3
COc1cc(ccc1OC)C=C1Oc2c(C1=O)ccc(c2)OS(=O)(=O)c1ccc(cc1)C
InChI=1SC24H20O7Sc1154818(9515)32(2627)31177101921(1417)3023(24(19)25)131661120(282)22(1216)293h414H13H3b2313
MFCD06644384
ZINC000009420247
ZINC09420247
ZINC9420247

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Available files

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