Vitas-M small molecule compound

(2E)-3-{3-[(4-benzylpiperidin-1-yl)sulfonyl]-4-methylphenyl}prop-2-enoic acid

Catalog ID
STK542514
SMILES OC(=O)/C=C/c1ccc(c(c1)S(=O)(=O)N1CCC(CC1)Cc1ccccc1)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 C22H25NO4S MW 399.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25NO4S/c1-17-7-8-19(9-10-22(24)25)16-21(17)28(26,27)23-13-11-20(12-14-23)15-18-5-3-2-4-6-18/h2-10,16,20H,11-15H2,1H3,(H,24,25)/b10-9+
InChIKey
YUSDCUSKQJKIKO-MDZDMXLPSA-N
Synonyms
452089-33-7
(2E)3(3((4benzylpiperidin1yl)sulfonyl)4methylphenyl)prop2enoicacid
(2E)3(4METHYL3((4BENZYLPIPERIDYL)SULFONYL)PHENYL)PROP2ENOICACID
(E)3(3((4benzylpiperidin1yl)sulfonyl)4methylphenyl)acrylicacid
(E)3(3(4BENZYLPIPERIDIN1YL)SULFONYL4METHYLPHENYL)PROP2ENOICACID
(E)3(3(4BENZYLPIPERIDINE1SULFONYL)4METHYLPHENYL)ACRYLICACID
452089337
CC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)N2CCC(CC2)CC3=CC=CC=C3
InChI=1SC22H25NO4Sc1177819(91022(24)25)1621(17)28(2627)23131120(121423)15185324618h2101620H1115H21H3(H2425)b109+
MFCD03212544
OC(=O)C=Cc1ccc(c(c1)S(=O)(=O)N1CCC(CC1)Cc1ccccc1)C
ZINC000001475592
ZINC1475592

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Available files

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