Vitas-M small molecule compound

4-[(1Z)-3-oxo-2-[(phenylcarbonyl)amino]-3-(piperidin-1-yl)prop-1-en-1-yl]phenyl 4-methylbenzenesulfonate

Catalog ID
STL297776
SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)/C=C(/C(=O)N1CCCCC1)\NC(=O)c1ccccc1

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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 C28H28N2O5S MW 504.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O5S/c1-21-10-16-25(17-11-21)36(33,34)35-24-14-12-22(13-15-24)20-26(28(32)30-18-6-3-7-19-30)29-27(31)23-8-4-2-5-9-23/h2,4-5,8-17,20H,3,6-7,18-19H2,1H3,(H,29,31)/b26-20-
InChIKey
IUYSUKSELSWIMO-QOMWVZHYSA-N
Synonyms
371950-88-8
(4((Z)2BENZAMIDO3OXO3PIPERIDIN1YLPROP1ENYL)PHENYL)4METHYLBENZENESULFONATE
(Z)4(2benzamido3oxo3(piperidin1yl)prop1en1yl)phenyl4methylbenzenesulfonate
371950888
4((1Z)3oxo2((phenylcarbonyl)amino)3(piperidin1yl)prop1en1yl)phenyl4methylbenzenesulfonate
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)C=C(C(=O)N3CCCCC3)NC(=O)C4=CC=CC=C4
Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)C=C(C(=O)N1CCCCC1)NC(=O)c1ccccc1
InChI=1SC28H28N2O5Sc121101625(171121)36(3334)3524141222(131524)2026(28(32)30186371930)2927(31)238425923h24581720H3671819H21H3(H2931)b2620
MFCD01855292
ZINC000009034251
ZINC09034251
ZINC9034251

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Available files

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