Vitas-M small molecule compound

(2E)-N-(1,3-benzothiazol-2-yl)-3-[4-methoxy-3-(piperidin-1-ylsulfonyl)phenyl]prop-2-enamide

Catalog ID
STK806730
SMILES COc1ccc(cc1S(=O)(=O)N1CCCCC1)/C=C/C(=O)Nc1nc2c(s1)cccc2

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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 C22H23N3O4S2 MW 457.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O4S2/c1-29-18-11-9-16(15-20(18)31(27,28)25-13-5-2-6-14-25)10-12-21(26)24-22-23-17-7-3-4-8-19(17)30-22/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,23,24,26)/b12-10+
InChIKey
BNGNSMBNTURYPN-ZRDIBKRKSA-N
Synonyms
342596-81-0
(2E)N(13benzothiazol2yl)3(4methoxy3(piperidin1ylsulfonyl)phenyl)prop2enamide
(2E)NBENZOTHIAZOL2YL3(4METHOXY3(PIPERIDYLSULFONYL)PHENYL)PROP2ENAMIDE
(E)N(13BENZOTHIAZOL2YL)3(4METHOXY3PIPERIDIN1YLSULFONYLPHENYL)PROP2ENAMIDE
342596810
COC1=C(C=C(C=C1)C=CC(=O)NC2=NC3=CC=CC=C3S2)S(=O)(=O)N4CCCCC4
COc1ccc(cc1S(=O)(=O)N1CCCCC1)C=CC(=O)Nc1nc2c(s1)cccc2
InChI=1SC22H23N3O4S2c1291811916(1520(18)31(2728)25135261425)101221(26)24222317734819(17)3022h3471215H2561314H21H3(H232426)b1210+
MFCD01829994
ZINC000001015809
ZINC01015809
ZINC1015809

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Available files

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