Vitas-M small molecule compound
4-[7-hydroxy-1-(4-methoxyphenyl)-4,6-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoic acid
Catalog ID
STL319893
SMILES COc1ccc(cc1)n1ncc2c1N=C(O)CSC2c1ccc(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 C20H17N3O4S MW 395.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O4S/c1-27-15-8-6-14(7-9-15)23-19-16(10-21-23)18(28-11-17(24)22-19)12-2-4-13(5-3-12)20(25)26/h2-10,18H,11H2,1H3,(H,22,24)(H,25,26)InChIKey
SBHOTQZGMZSESO-UHFFFAOYSA-NSynonyms
1436002-93-51436002935
4(7hydroxy1(4methoxyphenyl)46dihydro1Hpyrazolo(34e)(14)thiazepin4yl)benzoicacid
MFCD28029185
ZINC000095480414
ZINC000095480415
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