Vitas-M small molecule compound
3-hydroxy-4-(3-nitrophenyl)-1-(propan-2-yl)-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Catalog ID
STK601650
SMILES O=C1CSC(c2c(N1)n(nc2O)C(C)C)c1cccc(c1)[N+](=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 C15H16N4O4S MW 348.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H16N4O4S/c1-8(2)18-14-12(15(21)17-18)13(24-7-11(20)16-14)9-4-3-5-10(6-9)19(22)23/h3-6,8,13H,7H2,1-2H3,(H,16,20)(H,17,21)InChIKey
ARYVKDDMYXSLLM-UHFFFAOYSA-NSynonyms
692273-01-13hydroxy1isopropyl4(3nitrophenyl)68dihydro1Hpyrazolo(34e)(14)thiazepin7(4H)one
3hydroxy4(3nitrophenyl)1(propan2yl)48dihydro1Hpyrazolo(34e)(14)thiazepin7(6H)one
4(3NITROPHENYL)1PROPAN2YL48DIHYDRO2HPYRAZOLO(34E)(14)THIAZEPINE37DIONE
692273011
CC(C)N1C2=C(C(SCC(=O)N2)C3=CC(=CC=C3)(N+)(=O)(O))C(=O)N1
InChI=1SC15H16N4O4Sc18(2)181412(15(21)1718)13(24711(20)1614)943510(69)19(22)23h36813H7H212H3(H1620)(H1721)
MFCD03667530
O=C1CSC(c2c(N1)n(nc2O)C(C)C)c1cccc(c1)(N+)(=O)(O)
ZINC000005686033
ZINC000005686035
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