Vitas-M small molecule compound
methyl 2-{[{(2E)-2-[3-(2-amino-2-oxoethoxy)benzylidene]hydrazinyl}(oxo)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL006747
SMILES COC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(c2)OCC(=O)N)sc2c1CCCC2
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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 C21H22N4O6S MW 458.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O6S/c1-30-21(29)17-14-7-2-3-8-15(14)32-20(17)24-18(27)19(28)25-23-10-12-5-4-6-13(9-12)31-11-16(22)26/h4-6,9-10H,2-3,7-8,11H2,1H3,(H2,22,26)(H,24,27)(H,25,28)/b23-10+InChIKey
PMFGASJXTVEXKO-AUEPDCJTSA-NSynonyms
847047-73-8(E)methyl2(2(2(3(2amino2oxoethoxy)benzylidene)hydrazinyl)2oxoacetamido)4567tetrahydrobenzo(b)thiophene3carboxylate
847047738
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C(=O)NN=CC3=CC(=CC=C3)OCC(=O)N
COC(=O)c1c(NC(=O)C(=O)NN=Cc2cccc(c2)OCC(=O)N)sc2c1CCCC2
InChI=1SC21H22N4O6Sc13021(29)1714723815(14)3220(17)2418(27)19(28)2523101254613(912)311116(22)26h46910H237811H21H3(H22226)(H2427)(H2528)b2310+
methyl2((((2E)2(3(2amino2oxoethoxy)benzylidene)hydrazinyl)(oxo)acetyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((2((2E)2((3(2amino2oxoethoxy)phenyl)methylidene)hydrazinyl)2oxoacetyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD03887099
ZINC000009159336
ZINC33362017
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