Vitas-M small molecule compound
1-(butan-2-yl)-7-hydroxy-4-(4-methylphenyl)-1,2,4,6-tetrahydro-3H-pyrazolo[3,4-e][1,4]thiazepin-3-one
Catalog ID
STL037579
SMILES CCC(n1[nH]c(=O)c2c1N=C(O)CSC2c1ccc(cc1)C)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 C17H21N3O2S MW 331.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O2S/c1-4-11(3)20-16-14(17(22)19-20)15(23-9-13(21)18-16)12-7-5-10(2)6-8-12/h5-8,11,15H,4,9H2,1-3H3,(H,18,21)(H,19,22)InChIKey
HVRAYMIOXVLSME-UHFFFAOYSA-NSynonyms
672332-34-21(butan2yl)7hydroxy4(4methylphenyl)1246tetrahydro3Hpyrazolo(34e)(14)thiazepin3one
1BUTAN2YL4(4METHYLPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
4(4METHYLPHENYL)1(1METHYLPROPYL)48DIHYDRO1HPYRAZOLO(34E)(14)THIAZEPINE37(2H6H)DIONE
672332342
CCC(C)N1C2=C(C(SCC(=O)N2)C3=CC=C(C=C3)C)C(=O)N1
CCC(n1(nH)c(=O)c2c1N=C(O)CSC2c1ccc(cc1)C)C
InChI=1SC17H21N3O2Sc1411(3)201614(17(22)1920)15(23913(21)1816)127510(2)6812h581115H49H213H3(H1821)(H1922)
MFCD04074459
ZINC000017994775
ZINC000018164425
ZINC00524019
ZINC00524020
ZINC00524021
ZINC00524022
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