Vitas-M small molecule compound
2-(naphthalen-2-yloxy)-1-[(7E)-7-(3-nitrobenzylidene)-3-(3-nitrophenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]ethanone
Catalog ID
STL286805
SMILES O=C(N1N=C2C(C1c1cccc(c1)[N+](=O)[O-])CCC/C/2=C\c1cccc(c1)[N+](=O)[O-])COc1ccc2c(c1)cccc2
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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 C32H26N4O6 MW 562.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26N4O6/c37-30(20-42-28-15-14-22-7-1-2-8-23(22)19-28)34-32(25-10-4-12-27(18-25)36(40)41)29-13-5-9-24(31(29)33-34)16-21-6-3-11-26(17-21)35(38)39/h1-4,6-8,10-12,14-19,29,32H,5,9,13,20H2/b24-16+InChIKey
KVXLJZCGSZZNQV-LFVJCYFKSA-NSynonyms
2(naphthalen2yloxy)1((7E)7(3nitrobenzylidene)3(3nitrophenyl)33a4567hexahydro2Hindazol2yl)ethanone
2NAPHTHALEN2YLOXY1((7E)3(3NITROPHENYL)7((3NITROPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)ETHANONE
C1CC2C(N(N=C2C(=CC3=CC(=CC=C3)(N+)(=O)(O))C1)C(=O)COC4=CC5=CC=CC=C5C=C4)C6=CC(=CC=C6)(N+)(=O)(O)
InChI=1SC32H26N4O6c3730(204228151422712823(22)1928)3432(251041227(1825)36(40)41)29135924(31(29)3334)1621631126(1721)35(38)39h1468101214192932H591320H2b2416+
MFCD02704768
O=C(N1N=C2C(C1c1cccc(c1)(N+)(=O)(O))CCCC2=Cc1cccc(c1)(N+)(=O)(O))COc1ccc2c(c1)cccc2
ZINC000097971240
ZINC000097971243
Check stock
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