Vitas-M small molecule compound
[(7E)-3-{4-[hydroxy(oxido)-lambda~5~-azanyl]phenyl}-7-(4-nitrobenzylidene)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl](4-methyl-1,3-thiazol-5-yl)methanone
Catalog ID
STK302224
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 C25H22N5O5S MW 504.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N5O5S/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/h5-14,21,23,34H,2-4H2,1H3/b18-13+InChIKey
PFMGYRPZQJKHTC-QGOAFFKASA-NSynonyms
((7E)3(4(hydroxy(oxido)lambda~5~azanyl)phenyl)7(4nitrobenzylidene)33a4567hexahydro2Hindazol2yl)(4methyl13thiazol5yl)methanone
Cc1ncsc1C(=O)N1N=C2C(C1c1ccc(cc1)(N+)(O)(O))CCCC2=Cc1ccc(cc1)(N+)(=O)(O)
MFCD03467751
ZINC000008455418
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