Vitas-M small molecule compound

8-(4-hydroxyphenyl)-1-(4-methoxyphenyl)-6,8-dihydro-1H-imidazo[4,5-e][1,4]thiazepin-5-ol

Catalog ID
STL312059
SMILES COc1ccc(cc1)n1cnc2c1C(SCC(=N2)O)c1ccc(cc1)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 C19H17N3O3S MW 367.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O3S/c1-25-15-8-4-13(5-9-15)22-11-20-19-17(22)18(26-10-16(24)21-19)12-2-6-14(23)7-3-12/h2-9,11,18,23H,10H2,1H3,(H,21,24)
InChIKey
VHSKZBDBDIZHJS-UHFFFAOYSA-N
Synonyms
1435977-74-4
1435977744
8(4hydroxyphenyl)1(4methoxyphenyl)48dihydroimidazo(45e)(14)thiazepin5one
8(4hydroxyphenyl)1(4methoxyphenyl)68dihydro1Himidazo(45e)(14)thiazepin5ol
COC1=CC=C(C=C1)N2C=NC3=C2C(SCC(=O)N3)C4=CC=C(C=C4)O
InChI=1SC19H17N3O3Sc125158413(5915)2211201917(22)18(261016(24)2119)122614(23)7312h29111823H10H21H3(H2124)
MFCD28026447
ZINC000095474503
ZINC000095474504

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Available files

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