Vitas-M small molecule compound
1-(butan-2-yl)-3-hydroxy-4-(3-nitrophenyl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STK615654
SMILES CCC(n1nc(c2c1NC(=O)CSC2c1cccc(c1)[N+](=O)[O-])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 C16H18N4O4S MW 362.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N4O4S/c1-3-9(2)19-15-13(16(22)18-19)14(25-8-12(21)17-15)10-5-4-6-11(7-10)20(23)24/h4-7,9,14H,3,8H2,1-2H3,(H,17,21)(H,18,22)InChIKey
KGQVAQYWLOFLEJ-UHFFFAOYSA-NSynonyms
692269-17-31(butan2yl)3hydroxy4(3nitrophenyl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
1(secbutyl)3hydroxy4(3nitrophenyl)68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
1BUTAN2YL4(3NITROPHENYL)48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
692269173
CCC(C)N1C2=C(C(SCC(=O)N2)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)N1
CCC(n1nc(c2c1NC(=O)CSC2c1cccc(c1)(N+)(=O)(O))O)C
InChI=1SC16H18N4O4Sc139(2)191513(16(22)1819)14(25812(21)1715)1054611(710)20(23)24h47914H38H212H3(H1721)(H1822)
MFCD03665309
ZINC000005574955
ZINC000005575423
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