Vitas-M small molecule compound

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

Catalog ID
STL316604
SMILES OC1=Nc2ncn(c2C(SC1)c1ccc(cc1)O)c1ccc(cc1)Cl

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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 C18H14ClN3O2S MW 371.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14ClN3O2S/c19-12-3-5-13(6-4-12)22-10-20-18-16(22)17(25-9-15(24)21-18)11-1-7-14(23)8-2-11/h1-8,10,17,23H,9H2,(H,21,24)
InChIKey
IUCHYAVRGCBGRD-UHFFFAOYSA-N
Synonyms
1435991-36-8
1(4chlorophenyl)8(4hydroxyphenyl)48dihydroimidazo(45e)(14)thiazepin5one
1(4chlorophenyl)8(4hydroxyphenyl)68dihydro1Himidazo(45e)(14)thiazepin5ol
1435991368
C1C(=O)NC2=C(C(S1)C3=CC=C(C=C3)O)N(C=N2)C4=CC=C(C=C4)Cl
InChI=1SC18H14ClN3O2Sc19123513(6412)2210201816(22)17(25915(24)2118)111714(23)8211h18101723H9H2(H2124)
MFCD28027908
ZINC000095477895
ZINC000095477896

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Available files

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