Vitas-M small molecule compound

(5Z)-5-(4-ethylbenzylidene)-2-[4-(2-nitrophenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one

Catalog ID
STL042520
SMILES CCc1ccc(cc1)/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccccc1[N+](=O)[O-]

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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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-2-16-7-9-17(10-8-16)15-20-21(27)23-22(30-20)25-13-11-24(12-14-25)18-5-3-4-6-19(18)26(28)29/h3-10,15H,2,11-14H2,1H3/b20-15-
InChIKey
SFJNKGQHLJSYBT-HKWRFOASSA-N
Synonyms
713083-01-3
(5Z)5((4ETHYLPHENYL)METHYLIDENE)2(4(2NITROPHENYL)PIPERAZIN1YL)13THIAZOL4ONE
(5Z)5(4ethylbenzylidene)2(4(2nitrophenyl)piperazin1yl)13thiazol4(5H)one
(Z)5(4ethylbenzylidene)2(4(2nitrophenyl)piperazin1yl)thiazol4(5H)one
713083013
CCC1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CCN(CC3)C4=CC=CC=C4(N+)(=O)(O)
CCc1ccc(cc1)C=C1SC(=NC1=O)N1CCN(CC1)c1ccccc1(N+)(=O)(O)
InChI=1SC22H22N4O3Sc12167917(10816)152021(27)2322(3020)25131124(121425)18534619(18)26(28)29h31015H21114H21H3b2015
MFCD05706599
ZINC000009293704
ZINC09293704
ZINC9293704

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Available files

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