Vitas-M small molecule compound
1-(butan-2-yl)-3-hydroxy-4-(4-methoxyphenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STL237809
SMILES CCC(n1nc(c2c1NC(=O)CSC2c1ccc(cc1)OC)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 C17H21N3O3S MW 347.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O3S/c1-4-10(2)20-16-14(17(22)19-20)15(24-9-13(21)18-16)11-5-7-12(23-3)8-6-11/h5-8,10,15H,4,9H2,1-3H3,(H,18,21)(H,19,22)InChIKey
XYMADIDIUUJTAM-UHFFFAOYSA-NSynonyms
797767-90-91(butan2yl)3hydroxy4(4methoxyphenyl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
1(secbutyl)3hydroxy4(4methoxyphenyl)68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
1BUTAN2YL4(4METHOXYPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
797767909
CCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)OC)C(=O)N1
InChI=1SC17H21N3O3Sc1410(2)201614(17(22)1920)15(24913(21)1816)115712(233)8611h581015H49H213H3(H1821)(H1922)
MFCD03665238
ZINC000005686567
ZINC000005686609
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