Vitas-M small molecule compound
4-[1-(3-chlorophenyl)-5-hydroxy-6,8-dihydro-1H-imidazo[4,5-e][1,4]thiazepin-8-yl]benzoic acid
Catalog ID
STL316819
SMILES Clc1cccc(c1)n1cnc2c1C(SCC(=N2)O)c1ccc(cc1)C(=O)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 C19H14ClN3O3S MW 399.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14ClN3O3S/c20-13-2-1-3-14(8-13)23-10-21-18-16(23)17(27-9-15(24)22-18)11-4-6-12(7-5-11)19(25)26/h1-8,10,17H,9H2,(H,22,24)(H,25,26)InChIKey
WXTVLIZFSBUAMP-UHFFFAOYSA-NSynonyms
1435984-42-11435984421
4(1(3chlorophenyl)5hydroxy68dihydro1Himidazo(45e)(14)thiazepin8yl)benzoicacid
4(1(3chlorophenyl)5oxo48dihydroimidazo(45e)(14)thiazepin8yl)benzoicacid
C1C(=O)NC2=C(C(S1)C3=CC=C(C=C3)C(=O)O)N(C=N2)C4=CC(=CC=C4)Cl
InChI=1SC19H14ClN3O3Sc201321314(813)2310211816(23)17(27915(24)2218)114612(7511)19(25)26h181017H9H2(H2224)(H2526)
MFCD28028037
ZINC000095478052
ZINC000095478053
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