Vitas-M small molecule compound
(2E)-4-{[2-(azepan-1-ylsulfonyl)ethyl](pyridin-3-ylmethyl)amino}-4-oxobut-2-enoic acid
Catalog ID
STK610295
SMILES OC(=O)/C=C/C(=O)N(Cc1cccnc1)CCS(=O)(=O)N1CCCCCC1
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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 C18H25N3O5S MW 395.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N3O5S/c22-17(7-8-18(23)24)20(15-16-6-5-9-19-14-16)12-13-27(25,26)21-10-3-1-2-4-11-21/h5-9,14H,1-4,10-13,15H2,(H,23,24)/b8-7+InChIKey
JGHAJHFRHVCQHY-BQYQJAHWSA-NSynonyms
929867-05-0(2E)4((2(azepan1ylsulfonyl)ethyl)(pyridin3ylmethyl)amino)4oxobut2enoicacid
(E)4((2(azepan1ylsulfonyl)ethyl)(pyridin3ylmethyl)amino)4oxobut2enoicacid
(E)4(2(azepan1ylsulfonyl)ethyl(pyridin3ylmethyl)amino)4oxobut2enoicacid
929867050
C1CCCN(CC1)S(=O)(=O)CCN(CC2=CN=CC=C2)C(=O)C=CC(=O)O
InChI=1SC18H25N3O5Sc2217(7818(23)24)20(1516659191416)121327(2526)211031241121h5914H14101315H2(H2324)b87+
MFCD08746591
OC(=O)C=CC(=O)N(Cc1cccnc1)CCS(=O)(=O)N1CCCCCC1
ZINC000009304264
ZINC9304264
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