Vitas-M small molecule compound

[2-(prop-2-en-1-ylsulfanyl)-1H-benzimidazol-1-yl](3,4,5-trimethoxyphenyl)methanone

Catalog ID
STK701842
SMILES C=CCSc1nc2c(n1C(=O)c1cc(OC)c(c(c1)OC)OC)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 C20H20N2O4S MW 384.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O4S/c1-5-10-27-20-21-14-8-6-7-9-15(14)22(20)19(23)13-11-16(24-2)18(26-4)17(12-13)25-3/h5-9,11-12H,1,10H2,2-4H3
InChIKey
NJGNVRAXZBXHDO-UHFFFAOYSA-N
Synonyms
518350-64-6
(2(prop2en1ylsulfanyl)1Hbenzimidazol1yl)(345trimethoxyphenyl)methanone
(2PROP2ENYLSULFANYLBENZIMIDAZOL1YL)(345TRIMETHOXYPHENYL)METHANONE
2(ALLYLSULFANYL)1(345TRIMETHOXYBENZOYL)1HBENZIMIDAZOLE
518350646
COC1=CC(=CC(=C1OC)OC)C(=O)N2C3=CC=CC=C3N=C2SCC=C
InChI=1SC20H20N2O4Sc151027202114867915(14)22(20)19(23)131116(242)18(264)17(1213)253h591112H110H224H3
MFCD03461645
ZINC000012614452
ZINC12614452

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.