Vitas-M small molecule compound
N-[3-(benzylsulfanyl)-1-{(2E)-2-[(2E)-but-2-en-1-ylidene]hydrazinyl}-1-oxopropan-2-yl]-3,5-dinitrobenzamide (non-preferred name)
Catalog ID
STK749591
SMILES C/C=C/C=N/NC(=O)C(NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])CSCc1ccccc1
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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 C21H21N5O6S MW 471.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O6S/c1-2-3-9-22-24-21(28)19(14-33-13-15-7-5-4-6-8-15)23-20(27)16-10-17(25(29)30)12-18(11-16)26(31)32/h2-12,19H,13-14H2,1H3,(H,23,27)(H,24,28)/b3-2+,22-9+InChIKey
FMLNKBHMVMCFPL-FZIBIHCYSA-NSynonyms
CC=CC=NNC(=O)C(CSCC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))(N+)(=O)(O)
CC=CC=NNC(=O)C(NC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))CSCc1ccccc1
InChI=1SC21H21N5O6Sc1239222421(28)19(143313157546815)2320(27)161017(25(29)30)1218(1116)26(31)32h21219H1314H21H3(H2327)(H2428)b32+229+
MFCD00470507
N(3(benzylsulfanyl)1((2E)2((2E)but2en1ylidene)hydrazinyl)1oxopropan2yl)35dinitrobenzamide(nonpreferredname)
N(3benzylsulfanyl1((2E)2((E)but2enylidene)hydrazinyl)1oxopropan2yl)35dinitrobenzamide
ZINC000012362758
ZINC000012362761
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