Vitas-M small molecule compound
4-[7-hydroxy-4-(3-methoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-1-yl]benzoic acid
Catalog ID
STL313942
SMILES COc1cccc(c1)C1SCC(=Nc2c1cnn2c1ccc(cc1)C(=O)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 C20H17N3O4S MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O4S/c1-27-15-4-2-3-13(9-15)18-16-10-21-23(19(16)22-17(24)11-28-18)14-7-5-12(6-8-14)20(25)26/h2-10,18H,11H2,1H3,(H,22,24)(H,25,26)InChIKey
GTHNYCFETMYJSM-UHFFFAOYSA-NSynonyms
1436005-60-51436005605
4(7hydroxy4(3methoxyphenyl)46dihydro1Hpyrazolo(34e)(14)thiazepin1yl)benzoicacid
MFCD28030411
ZINC000095475986
ZINC000095475987
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