Vitas-M small molecule compound
2-{5-[1-(3-chlorophenyl)-5-hydroxy-6,8-dihydro-1H-imidazo[4,5-e][1,4]thiazepin-8-yl]-2-methoxyphenoxy}acetamide
Catalog ID
STL313372
SMILES COc1ccc(cc1OCC(=O)N)C1SCC(=Nc2c1n(cn2)c1cccc(c1)Cl)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 C21H19ClN4O4S MW 458.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O4S/c1-29-15-6-5-12(7-16(15)30-9-17(23)27)20-19-21(25-18(28)10-31-20)24-11-26(19)14-4-2-3-13(22)8-14/h2-8,11,20H,9-10H2,1H3,(H2,23,27)(H,25,28)InChIKey
UHRHPSOGURSFDQ-UHFFFAOYSA-NSynonyms
1442075-75-31442075753
2(5(1(3chlorophenyl)5hydroxy68dihydro1Himidazo(45e)(14)thiazepin8yl)2methoxyphenoxy)acetamide
2(5(1(3chlorophenyl)5oxo48dihydroimidazo(45e)(14)thiazepin8yl)2methoxyphenoxy)acetamide
COC1=C(C=C(C=C1)C2C3=C(NC(=O)CS2)N=CN3C4=CC(=CC=C4)Cl)OCC(=O)N
InChI=1SC21H19ClN4O4Sc129156512(716(15)30917(23)27)201921(2518(28)103120)241126(19)1442313(22)814h281120H910H21H3(H22327)(H2528)
MFCD28030067
ZINC000095475504
ZINC000095475505
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