Vitas-M small molecule compound
[4-(morpholin-4-yl)-3,5-dinitrophenyl][(7E)-3-(thiophen-2-yl)-7-(thiophen-2-ylmethylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STK889233
SMILES O=C(N1N=C2C(C1c1cccs1)CCC/C/2=C\c1cccs1)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])N1CCOCC1
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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 C27H25N5O6S2 MW 579.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O6S2/c33-27(18-15-21(31(34)35)26(22(16-18)32(36)37)29-8-10-38-11-9-29)30-25(23-7-3-13-40-23)20-6-1-4-17(24(20)28-30)14-19-5-2-12-39-19/h2-3,5,7,12-16,20,25H,1,4,6,8-11H2/b17-14+InChIKey
PSKLIOBANDLWFU-SAPNQHFASA-NSynonyms
(4(morpholin4yl)35dinitrophenyl)((7E)3(thiophen2yl)7(thiophen2ylmethylidene)33a4567hexahydro2Hindazol2yl)methanone
(4MORPHOLIN4YL35DINITROPHENYL)((7E)3THIOPHEN2YL7(THIOPHEN2YLMETHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
C1CC2C(N(N=C2C(=CC3=CC=CS3)C1)C(=O)C4=CC(=C(C(=C4)(N+)(=O)(O))N5CCOCC5)(N+)(=O)(O))C6=CC=CS6
InChI=1SC27H25N5O6S2c3327(181521(31(34)35)26(22(1618)32(36)37)298103811929)3025(2373134023)2061417(24(20)2830)141952123919h235712162025H146811H2b1714+
MFCD03489625
O=C(N1N=C2C(C1c1cccs1)CCCC2=Cc1cccs1)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))N1CCOCC1
ZINC000102928656
ZINC000104048087
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.