Vitas-M small molecule compound
ethyl 2-({[(2E)-2-(2-chlorobenzylidene)hydrazinyl](oxo)acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STL006832
SMILES CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccccc2Cl)sc2c1CCCCC2
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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 C21H22ClN3O4S MW 447.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O4S/c1-2-29-21(28)17-14-9-4-3-5-11-16(14)30-20(17)24-18(26)19(27)25-23-12-13-8-6-7-10-15(13)22/h6-8,10,12H,2-5,9,11H2,1H3,(H,24,26)(H,25,27)/b23-12+InChIKey
SULQIMUTUQYHKX-FSJBWODESA-NSynonyms
847337-99-9(E)ethyl2(2(2(2chlorobenzylidene)hydrazinyl)2oxoacetamido)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
847337999
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)C(=O)NN=CC3=CC=CC=C3Cl
CCOC(=O)c1c(NC(=O)C(=O)NN=Cc2ccccc2Cl)sc2c1CCCCC2
ethyl2((((2E)2(2chlorobenzylidene)hydrazinyl)(oxo)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2((2E)2((2chlorophenyl)methylidene)hydrazinyl)2oxoacetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC21H22ClN3O4Sc122921(28)171494351116(14)3020(17)2418(26)19(27)252312138671015(13)22h681012H25911H21H3(H2426)(H2527)b2312+
MFCD03888357
ZINC000002211184
ZINC33350498
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