Vitas-M small molecule compound
methyl (5E)-5-[(3Z)-3-[2-(3,5-dinitrophenyl)hydrazinylidene]-4-[(phenylcarbonyl)amino]dihydrothiophen-2(3H)-ylidene]pentanoate
Catalog ID
STL324430
SMILES COC(=O)CCC/C=C\1/SCC(/C1=N/Nc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])NC(=O)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 C23H23N5O7S MW 513.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O7S/c1-35-21(29)10-6-5-9-20-22(19(14-36-20)24-23(30)15-7-3-2-4-8-15)26-25-16-11-17(27(31)32)13-18(12-16)28(33)34/h2-4,7-9,11-13,19,25H,5-6,10,14H2,1H3,(H,24,30)/b20-9+,26-22-InChIKey
QBNKJYJQSGOVLQ-KDSDELDFSA-NSynonyms
(E)methyl5((SZ)4benzamido3(2(35dinitrophenyl)hydrazono)dihydrothiophen2(3H)ylidene)pentanoate
COC(=O)CCCC=C1C(=NNC2=CC(=CC(=C2)(N+)(=O)(O))(N+)(=O)(O))C(CS1)NC(=O)C3=CC=CC=C3
COC(=O)CCCC=C1SC(C@H)(C1=NNc1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))NC(=O)c1ccccc1
COC(=O)CCCC=C1SCC(C1=NNc1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))NC(=O)c1ccccc1
InChI=1SC23H23N5O7Sc13521(29)106592022(19(143620)2423(30)157324815)2625161117(27(31)32)1318(1216)28(33)34h247911131925H561014H21H3(H2430)b209+2622
methyl(5E)5((3Z)3(2(35dinitrophenyl)hydrazinylidene)4((phenylcarbonyl)amino)dihydrothiophen2(3H)ylidene)pentanoate
methyl(5E)5((3Z)4benzamido3((35dinitrophenyl)hydrazinylidene)thiolan2ylidene)pentanoate
MFCD28032030
ZINC000036006185
ZINC000100691099
Check stock
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Check stock on Vitas-MAvailable files
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