Vitas-M small molecule compound

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

Catalog ID
STL345967
SMILES CCOc1ccccc1/C=C/1\SC(=NC1=O)N1CCN(CC1)c1ccc(cc1)[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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-2-30-19-6-4-3-5-16(19)15-20-21(27)23-22(31-20)25-13-11-24(12-14-25)17-7-9-18(10-8-17)26(28)29/h3-10,15H,2,11-14H2,1H3/b20-15-
InChIKey
ZYISMJXGKNOPMP-HKWRFOASSA-N
Synonyms
674296-88-9
(5Z)5((2ETHOXYPHENYL)METHYLIDENE)2(4(4NITROPHENYL)PIPERAZIN1YL)13THIAZOL4ONE
(5Z)5(2ethoxybenzylidene)2(4(4nitrophenyl)piperazin1yl)13thiazol4(5H)one
(Z)5(2ethoxybenzylidene)2(4(4nitrophenyl)piperazin1yl)thiazol4(5H)one
674296889
CCOC1=CC=CC=C1C=C2C(=O)N=C(S2)N3CCN(CC3)C4=CC=C(C=C4)(N+)(=O)(O)
CCOc1ccccc1C=C1SC(=NC1=O)N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC22H22N4O4Sc123019643516(19)152021(27)2322(3120)25131124(121425)177918(10817)26(28)29h31015H21114H21H3b2015
MFCD04081355
ZINC000009209871
ZINC09209871
ZINC9209871

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Available files

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