Vitas-M small molecule compound

N-{1-[(2E)-2-benzylidenehydrazinyl]-3-(benzylsulfanyl)-1-oxopropan-2-yl}-3,5-dinitrobenzamide (non-preferred name)

Catalog ID
STK749587
SMILES O=C(C(NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])CSCc1ccccc1)N/N=C/c1ccccc1

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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 C24H21N5O6S MW 507.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N5O6S/c30-23(19-11-20(28(32)33)13-21(12-19)29(34)35)26-22(16-36-15-18-9-5-2-6-10-18)24(31)27-25-14-17-7-3-1-4-8-17/h1-14,22H,15-16H2,(H,26,30)(H,27,31)/b25-14+
InChIKey
POLCYOMMVUHKLO-AFUMVMLFSA-N
Synonyms

C1=CC=C(C=C1)CSCC(C(=O)NN=CC2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC24H21N5O6Sc3023(191120(28(32)33)1321(1219)29(34)35)2622(1636151895261018)24(31)272514177314817h11422H1516H2(H2630)(H2731)b2514+
MFCD00470403
N(1((2E)2BENZYLIDENEHYDRAZINYL)3(BENZYLSULFANYL)1OXOPROPAN2YL)35DINITROBENZAMIDE(NONPREFERREDNAME)
N(1((2E)2benzylidenehydrazinyl)3benzylsulfanyl1oxopropan2yl)35dinitrobenzamide
O=C(C(NC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))CSCc1ccccc1)NN=Cc1ccccc1
ZINC000014923231
ZINC000014923235

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Available files

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