Vitas-M small molecule compound

ethyl 4-{N-[(4-chlorophenyl)sulfonyl]-N-(3-methylbenzyl)glycyl}piperazine-1-carboxylate

Catalog ID
STK079045
SMILES CCOC(=O)N1CCN(CC1)C(=O)CN(S(=O)(=O)c1ccc(cc1)Cl)Cc1cccc(c1)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 C23H28ClN3O5S MW 494.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28ClN3O5S/c1-3-32-23(29)26-13-11-25(12-14-26)22(28)17-27(16-19-6-4-5-18(2)15-19)33(30,31)21-9-7-20(24)8-10-21/h4-10,15H,3,11-14,16-17H2,1-2H3
InChIKey
BTNYUVPVMSGIQU-UHFFFAOYSA-N
Synonyms

CCOC(=O)N1CCN(CC1)C(=O)CN(CC2=CC=CC(=C2)C)S(=O)(=O)C3=CC=C(C=C3)Cl
CCOC(=O)N1CCN(CC1)C(=O)CN(S(=O)(=O)c1ccc(cc1)Cl)Cc1cccc(c1)C
ETHYL4(2((4CHLOROPHENYL)SULFONYL((3METHYLPHENYL)METHYL)AMINO)ACETYL)PIPERAZINE1CARBOXYLATE
ETHYL4(N((4CHLOROPHENYL)SULFONYL)N(3METHYLBENZYL)GLYCYL)PIPERAZINE1CARBOXYLATE
InChI=1SC23H28ClN3O5Sc133223(29)26131125(121426)22(28)1727(161964518(2)1519)33(3031)219720(24)81021h41015H311141617H212H3
MFCD03922887
STK079045
ZINC000009600968
ZINC09600968
ZINC9600968

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.