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methyl 3-[({[4-(prop-2-en-1-yl)-5-{1-[(thiophen-2-ylcarbonyl)amino]ethyl}-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STL139273
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)C(=O)OC)nnc1C(NC(=O)c1cccs1)C

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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 C22H23N5O4S2 MW 485.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O4S2/c1-4-10-27-19(14(2)23-20(29)17-9-6-11-32-17)25-26-22(27)33-13-18(28)24-16-8-5-7-15(12-16)21(30)31-3/h4-9,11-12,14H,1,10,13H2,2-3H3,(H,23,29)(H,24,28)
InChIKey
KDNSXFQRUGIEBT-UHFFFAOYSA-N
Synonyms

3((1OXO2((5(1((OXO(THIOPHEN2YL)METHYL)AMINO)ETHYL)4PROP2ENYL124TRIAZOL3YL)THIO)ETHYL)AMINO)BENZOICACIDMETHYLESTER
3((2((4ALLYL5(1(2THENOYLAMINO)ETHYL)124TRIAZOL3YL)THIO)ACETYL)AMINO)BENZOICACIDMETHYLESTER
CC(C1=NN=C(N1CC=C)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)NC(=O)C3=CC=CS3
InChI=1SC22H23N5O4S2c14102719(14(2)2320(29)1796113217)252622(27)331318(28)241685715(1216)21(30)313h49111214H11013H223H3(H2329)(H2428)
methyl3((((4(prop2en1yl)5(1((thiophen2ylcarbonyl)amino)ethyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
METHYL3((((4ALLYL5(1((2THIENYLCARBONYL)AMINO)ETHYL)4H124TRIAZOL3YL)THIO)ACETYL)AMINO)BENZOATE
METHYL3((2((4PROP2ENYL5(1(THIOPHENE2CARBONYLAMINO)ETHYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL3(2((4PROP2ENYL5(1(THIOPHEN2YLCARBONYLAMINO)ETHYL)124TRIAZOL3YL)SULFANYL)ETHANOYLAMINO)BENZOATE
MFCD05992901
ZINC000004196574
ZINC000004196575

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Available files

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