Vitas-M small molecule compound

(2E)-3-(4-methoxyphenyl)-N-{[4-(pyridin-2-yl)piperazin-1-yl]carbonothioyl}prop-2-enamide

Catalog ID
STK329948
SMILES COc1ccc(cc1)/C=C/C(=O)NC(=S)N1CCN(CC1)c1ccccn1

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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 C20H22N4O2S MW 382.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O2S/c1-26-17-8-5-16(6-9-17)7-10-19(25)22-20(27)24-14-12-23(13-15-24)18-4-2-3-11-21-18/h2-11H,12-15H2,1H3,(H,22,25,27)/b10-7+
InChIKey
QITZZAKZEOZKFK-JXMROGBWSA-N
Synonyms
370574-97-3
(2E)3(4methoxyphenyl)N((4(pyridin2yl)piperazin1yl)carbonothioyl)prop2enamide
(E)3(4methoxyphenyl)N(4(pyridin2yl)piperazine1carbonothioyl)acrylamide
(E)3(4METHOXYPHENYL)N(4PYRIDIN2YLPIPERAZINE1CARBOTHIOYL)ACRYLAMIDE
(E)3(4METHOXYPHENYL)N(4PYRIDIN2YLPIPERAZINE1CARBOTHIOYL)PROP2ENAMIDE
370574973
COC1=CC=C(C=C1)C=CC(=O)NC(=S)N2CCN(CC2)C3=CC=CC=N3
COc1ccc(cc1)C=CC(=O)NC(=S)N1CCN(CC1)c1ccccn1
InChI=1SC20H22N4O2Sc126178516(6917)71019(25)2220(27)24141223(131524)18423112118h211H1215H21H3(H222527)b107+
MFCD03011152
ZINC000100818515
ZINC100818515

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.