Vitas-M small molecule compound

ethyl 4-({1-[(3-chloro-4-methoxyphenyl)sulfonyl]piperidin-3-yl}carbonyl)piperazine-1-carboxylate

Catalog ID
STL195879
SMILES CCOC(=O)N1CCN(CC1)C(=O)C1CCCN(C1)S(=O)(=O)c1ccc(c(c1)Cl)OC

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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 C20H28ClN3O6S MW 473.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28ClN3O6S/c1-3-30-20(26)23-11-9-22(10-12-23)19(25)15-5-4-8-24(14-15)31(27,28)16-6-7-18(29-2)17(21)13-16/h6-7,13,15H,3-5,8-12,14H2,1-2H3
InChIKey
FUUJGLOZFNOTIO-UHFFFAOYSA-N
Synonyms

CCOC(=O)N1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC(=C(C=C3)OC)Cl
ethyl4((1((3chloro4methoxyphenyl)sulfonyl)piperidin3yl)carbonyl)piperazine1carboxylate
ETHYL4(1(3CHLORO4METHOXYPHENYL)SULFONYLPIPERIDINE3CARBONYL)PIPERAZINE1CARBOXYLATE
InChI=1SC20H28ClN3O6Sc133020(26)2311922(101223)19(25)1554824(1415)31(2728)166718(292)17(21)1316h671315H3581214H212H3
MFCD06006280
ZINC000016425581
ZINC000016425584

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Available files

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