Vitas-M small molecule compound
4-[(E)-{2-[4-(2-cyanoethyl)piperazin-4-ium-1-yl]-4-oxo-1,3-thiazol-5(4H)-ylidene}methyl]-2-nitrophenolate
Catalog ID
STK563612
SMILES N#CCC[NH+]1CCN(CC1)C1=NC(=O)/C(=C\c2ccc(c(c2)[N+](=O)[O-])[O-])/S1
Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.
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 C17H17N5O4S MW 387.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N5O4S/c18-4-1-5-20-6-8-21(9-7-20)17-19-16(24)15(27-17)11-12-2-3-14(23)13(10-12)22(25)26/h2-3,10-11,23H,1,5-9H2/b15-11+InChIKey
ORBBTLDLIQZVFS-RVDMUPIBSA-NSynonyms
587007-54-33(4((5E)5((4HYDROXY3NITROPHENYL)METHYLIDENE)4OXO13THIAZOL2YL)PIPERAZIN1YL)PROPANENITRILE
4((E)(2(4(2cyanoethyl)piperazin4ium1yl)4oxo13thiazol5(4H)ylidene)methyl)2nitrophenolate
4((E)(2(4(2CYANOETHYL)PIPERAZIN4IUM1YL)4OXO13THIAZOL5YLIDENE)METHYL)2NITROPHENOLATE
587007543
C1CN(CC(NH+)1CCC#N)C2=NC(=O)C(=CC3=CC(=C(C=C3)(O))(N+)(=O)(O))S2
InChI=1SC17H17N5O4Sc18415206821(9720)171916(24)15(2717)11122314(23)13(1012)22(25)26h23101123H159H2b1511+
MFCD04033267
N#CCC(NH+)1CCN(CC1)C1=NC(=O)C(=Cc2ccc(c(c2)(N+)(=O)(O))(O))S1
ZINC000001838354
ZINC01838354
ZINC1838354
Check stock
See real-time availability and sample size for STK563612 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.