Vitas-M small molecule compound

(2E)-3-[3,4-dimethoxy-5-(piperidin-1-ylsulfonyl)phenyl]prop-2-enoic acid

Catalog ID
STK533724
SMILES COc1cc(/C=C/C(=O)O)cc(c1OC)S(=O)(=O)N1CCCCC1

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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 C16H21NO6S MW 355.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21NO6S/c1-22-13-10-12(6-7-15(18)19)11-14(16(13)23-2)24(20,21)17-8-4-3-5-9-17/h6-7,10-11H,3-5,8-9H2,1-2H3,(H,18,19)/b7-6+
InChIKey
XHYKFPYRKYFLSR-VOTSOKGWSA-N
Synonyms
326882-20-6
(2E)3(34dimethoxy5(piperidin1ylsulfonyl)phenyl)prop2enoicacid
(2E)3(45DIMETHOXY3(PIPERIDYLSULFONYL)PHENYL)PROP2ENOICACID
(E)3(34dimethoxy5(piperidin1ylsulfonyl)phenyl)acrylicacid
(E)3(34DIMETHOXY5PIPERIDIN1YLSULFONYLPHENYL)PROP2ENOICACID
326882206
COC1=C(C(=CC(=C1)C=CC(=O)O)S(=O)(=O)N2CCCCC2)OC
COc1cc(C=CC(=O)O)cc(c1OC)S(=O)(=O)N1CCCCC1
InChI=1SC16H21NO6Sc122131012(6715(18)19)1114(16(13)232)24(2021)178435917h671011H3589H212H3(H1819)b76+
MFCD02658243
ZINC000001170965
ZINC1170965

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Available files

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