Vitas-M small molecule compound
4-hydroxy-3-[2-(3-hydroxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-methyl-2H-pyran-2-one
Catalog ID
STL525040
SMILES Oc1cccc(c1)C1Sc2ccccc2N=C(C1)c1c(O)cc(oc1=O)C
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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 C21H17NO4S MW 379.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17NO4S/c1-12-9-17(24)20(21(25)26-12)16-11-19(13-5-4-6-14(23)10-13)27-18-8-3-2-7-15(18)22-16/h2-10,19,23-24H,11H2,1H3InChIKey
FJUCQYUXJZEVIC-UHFFFAOYSA-NSynonyms
331852-55-2(3Z)3(2(3HYDROXYPHENYL)35DIHYDRO2H15BENZOTHIAZEPIN4YLIDENE)6METHYLPYRAN24DIONE
135406084
3(2(3HYDROXYPHENYL)35DIHYDRO2H15BENZOTHIAZEPIN4YLIDENE)6METHYLPYRAN24DIONE
331852552
4hydroxy3(2(3hydroxyphenyl)23dihydro15benzothiazepin4yl)6methyl2Hpyran2one
4hydroxy3(2(3hydroxyphenyl)23dihydro15benzothiazepin4yl)6methylpyran2one
4HYDROXY3(2(3HYDROXYPHENYL)23DIHYDROBENZO(B)(14)THIAZEPIN4YL)6METHYL2HPYRAN2ONE
InChI=1SC21H17NO4Sc112917(24)20(21(25)2612)161119(1354614(23)1013)2718832715(18)2216h210192324H11H21H3
MFCD00542840
ZINC000005441686
ZINC000005441836
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