Vitas-M small molecule compound

ethyl 4-{[4-benzyl-3-(4-chlorophenyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate

Catalog ID
STK734014
SMILES CCOC(=O)N1CCN(CC1)Cn1nc(n(c1=S)Cc1ccccc1)c1ccc(cc1)Cl

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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 C23H26ClN5O2S MW 472.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26ClN5O2S/c1-2-31-23(30)27-14-12-26(13-15-27)17-29-22(32)28(16-18-6-4-3-5-7-18)21(25-29)19-8-10-20(24)11-9-19/h3-11H,2,12-17H2,1H3
InChIKey
IJKNENKWBWWALG-UHFFFAOYSA-N
Synonyms

CCOC(=O)N1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4
ETHYL4((4BENZYL3(4CHLOROPHENYL)5SULFANYLIDENE124TRIAZOL1YL)METHYL)PIPERAZINE1CARBOXYLATE
ethyl4((4benzyl3(4chlorophenyl)5thioxo45dihydro1H124triazol1yl)methyl)piperazine1carboxylate
InChI=1SC23H26ClN5O2Sc123123(30)27141226(131527)172922(32)28(16186435718)21(2529)1981020(24)11919h311H21217H21H3
MFCD01571906
ZINC000012413560
ZINC12413560

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Available files

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