Vitas-M small molecule compound

4-[(1E)-2-(acetylamino)-3-(butylamino)-3-oxoprop-1-en-1-yl]phenyl 4-methylbenzenesulfonate

Catalog ID
STK554663
SMILES CCCCNC(=O)/C(=C\c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)/NC(=O)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 C22H26N2O5S MW 430.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O5S/c1-4-5-14-23-22(26)21(24-17(3)25)15-18-8-10-19(11-9-18)29-30(27,28)20-12-6-16(2)7-13-20/h6-13,15H,4-5,14H2,1-3H3,(H,23,26)(H,24,25)/b21-15+
InChIKey
CGTIJGQPGQGRLG-RCCKNPSSSA-N
Synonyms
840477-32-9
(4((E)2ACETAMIDO3(BUTYLAMINO)3OXOPROP1ENYL)PHENYL)4METHYLBENZENESULFONATE
(E)4(2acetamido3(butylamino)3oxoprop1en1yl)phenyl4methylbenzenesulfonate
4((1E)2(acetylamino)3(butylamino)3oxoprop1en1yl)phenyl4methylbenzenesulfonate
840477329
CCCCNC(=O)C(=CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)C
CCCCNC(=O)C(=Cc1ccc(cc1)OS(=O)(=O)c1ccc(cc1)C)NC(=O)C
InChI=1SC22H26N2O5Sc145142322(26)21(2417(3)25)151881019(11918)2930(2728)2012616(2)71320h61315H4514H213H3(H2326)(H2425)b2115+
MFCD04006099
ZINC000009462861
ZINC09462861
ZINC9462861

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Available files

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