Vitas-M small molecule compound
methyl 2-({oxo[(2E)-2-(3,4,5-trimethoxybenzylidene)hydrazinyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL006353
SMILES COc1cc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc(c1OC)OC
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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 C22H25N3O7S MW 475.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O7S/c1-29-14-9-12(10-15(30-2)18(14)31-3)11-23-25-20(27)19(26)24-21-17(22(28)32-4)13-7-5-6-8-16(13)33-21/h9-11H,5-8H2,1-4H3,(H,24,26)(H,25,27)/b23-11+InChIKey
KEPMPTGZGPRXTF-FOKLQQMPSA-NSynonyms
843668-73-5(E)methyl2(2oxo2(2(345trimethoxybenzylidene)hydrazinyl)acetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
843668735
COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC
COc1cc(C=NNC(=O)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc(c1OC)OC
InChI=1SC22H25N3O7Sc12914912(1015(302)18(14)313)11232520(27)19(26)242117(22(28)324)13756816(13)3321h911H58H214H3(H2426)(H2527)b2311+
methyl2((2oxo2((2E)2((345trimethoxyphenyl)methylidene)hydrazinyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((oxo((2E)2(345trimethoxybenzylidene)hydrazinyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03888160
ZINC000002407672
ZINC33365773
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