Vitas-M small molecule compound

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-({1-[(4-methylphenyl)sulfonyl]piperidin-4-yl}carbonyl)-L-prolinamide

Catalog ID
STK573074
SMILES COc1cc(CCNC(=O)[C@@H]2CCCN2C(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)C)ccc1OC

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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 C28H37N3O6S MW 543.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H37N3O6S/c1-20-6-9-23(10-7-20)38(34,35)30-17-13-22(14-18-30)28(33)31-16-4-5-24(31)27(32)29-15-12-21-8-11-25(36-2)26(19-21)37-3/h6-11,19,22,24H,4-5,12-18H2,1-3H3,(H,29,32)/t24-/m0/s1
InChIKey
SSDGBZKNACKZHQ-DEOSSOPVSA-N
Synonyms
1013792-72-7
(2S)N(2(34dimethoxyphenyl)ethyl)1(1(4methylphenyl)sulfonylpiperidine4carbonyl)pyrrolidine2carboxamide
(S)N(34dimethoxyphenethyl)1(1tosylpiperidine4carbonyl)pyrrolidine2carboxamide
1013792727
CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N3CCCC3C(=O)NCCC4=CC(=C(C=C4)OC)OC
COc1cc(CCNC(=O)(C@@H)2CCCN2C(=O)C2CCN(CC2)S(=O)(=O)c2ccc(cc2)C)ccc1OC
InChI=1SC28H37N3O6Sc1206923(10720)38(3435)30171322(141830)28(33)31164524(31)27(32)2915122181125(362)26(1921)373h611192224H451218H213H3(H2932)t24m0s1
MFCD04021618
N(2(34dimethoxyphenyl)ethyl)1((1((4methylphenyl)sulfonyl)piperidin4yl)carbonyl)Lprolinamide
ZINC000101063162
ZINC101063162

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Available files

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