Vitas-M small molecule compound
(4-methyl-1,3-thiazol-5-yl)[(7E)-7-(4-nitrobenzylidene)-3-(4-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Catalog ID
STL176201
SMILES Cc1ncsc1C(=O)N1N=C2C(C1c1ccc(cc1)[N+](=O)[O-])CCC/C/2=C\c1ccc(cc1)[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 C25H21N5O5S MW 503.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21N5O5S/c1-15-24(36-14-26-15)25(31)28-23(17-7-11-20(12-8-17)30(34)35)21-4-2-3-18(22(21)27-28)13-16-5-9-19(10-6-16)29(32)33/h5-14,21,23H,2-4H2,1H3/b18-13+InChIKey
ATLXYDPAHQITJW-QGOAFFKASA-NSynonyms
1055043-19-0(4METHYL13THIAZOL5YL)((7E)3(4NITROPHENYL)7((4NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)METHANONE
(4methyl13thiazol5yl)((7E)7(4nitrobenzylidene)3(4nitrophenyl)33a4567hexahydro2Hindazol2yl)methanone
1055043190
CC1=C(SC=N1)C(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)(N+)(=O)(O))C3=N2)C5=CC=C(C=C5)(N+)(=O)(O)
Cc1ncsc1C(=O)N1N=C2C(C1c1ccc(cc1)(N+)(=O)(O))CCCC2=Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC25H21N5O5Sc11524(36142615)25(31)2823(1771120(12817)30(34)35)2142318(22(21)2728)13165919(10616)29(32)33h5142123H24H21H3b1813+
MFCD03467942
ZINC000008455421
Check stock
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Check stock on Vitas-MAvailable files
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