Vitas-M small molecule compound
N,N-bis(2-methylpropyl)-5-nitro-2-{(2E)-2-[3-nitro-4-(pyrrolidin-1-yl)benzylidene]hydrazinyl}benzenesulfonamide
Catalog ID
STK674515
SMILES CC(CN(S(=O)(=O)c1cc(ccc1N/N=C/c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)[N+](=O)[O-])CC(C)C)C
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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 C25H34N6O6S MW 546.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H34N6O6S/c1-18(2)16-29(17-19(3)4)38(36,37)25-14-21(30(32)33)8-9-22(25)27-26-15-20-7-10-23(24(13-20)31(34)35)28-11-5-6-12-28/h7-10,13-15,18-19,27H,5-6,11-12,16-17H2,1-4H3/b26-15+InChIKey
NWPZHLHHBPCCLH-CVKSISIWSA-NSynonyms
CC(C)CN(CC(C)C)S(=O)(=O)C1=C(C=CC(=C1)(N+)(=O)(O))NN=CC2=CC(=C(C=C2)N3CCCC3)(N+)(=O)(O)
CC(CN(S(=O)(=O)c1cc(ccc1NN=Cc1ccc(c(c1)(N+)(=O)(O))N1CCCC1)(N+)(=O)(O))CC(C)C)C
InChI=1SC25H34N6O6Sc118(2)1629(1719(3)4)38(3637)251421(30(32)33)8922(25)2726152071023(24(1320)31(34)35)2811561228h7101315181927H5611121617H214H3b2615+
MFCD00754895
NNbis(2methylpropyl)5nitro2((2E)2((3nitro4pyrrolidin1ylphenyl)methylidene)hydrazinyl)benzenesulfonamide
NNbis(2methylpropyl)5nitro2((2E)2(3nitro4(pyrrolidin1yl)benzylidene)hydrazinyl)benzenesulfonamide
ZINC000100068620
ZINC102779226
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