Vitas-M small molecule compound
[(7Z)-7-(3,4-dimethoxybenzylidene)-3-(3,4-dimethoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl][3-nitro-4-(pyrrolidin-1-yl)phenyl]methanone
Catalog ID
STK889222
SMILES COc1cc(ccc1OC)C1C2CCC/C(=C/c3ccc(c(c3)OC)OC)/C2=NN1C(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
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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 C35H38N4O7 MW 626.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H38N4O7/c1-43-29-14-10-22(19-31(29)45-3)18-23-8-7-9-26-33(23)36-38(34(26)24-12-15-30(44-2)32(21-24)46-4)35(40)25-11-13-27(28(20-25)39(41)42)37-16-5-6-17-37/h10-15,18-21,26,34H,5-9,16-17H2,1-4H3/b23-18-InChIKey
JFFXOTLGVJYQIL-NKFKGCMQSA-NSynonyms
((7Z)3(34DIMETHOXYPHENYL)7((34DIMETHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)(3NITRO4PYRROLIDIN1YLPHENYL)METHANONE
((7Z)7(34dimethoxybenzylidene)3(34dimethoxyphenyl)33a4567hexahydro2Hindazol2yl)(3nitro4(pyrrolidin1yl)phenyl)methanone
COC1=C(C=C(C=C1)C=C2CCCC3C2=NN(C3C4=CC(=C(C=C4)OC)OC)C(=O)C5=CC(=C(C=C5)N6CCCC6)(N+)(=O)(O))OC
COc1cc(ccc1OC)C1C2CCCC(=Cc3ccc(c(c3)OC)OC)C2=NN1C(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCCC1
InChI=1SC35H38N4O7c14329141022(1931(29)453)18238792633(23)3638(34(26)24121530(442)32(2124)464)35(40)25111327(28(2025)39(41)42)3716561737h101518212634H591617H214H3b2318
MFCD03613264
ZINC000102928565
ZINC000103995288
Check stock
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Check stock on Vitas-MAvailable files
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