Vitas-M small molecule compound

(5E)-5-(2-butoxybenzylidene)-2-[4-(3-methylphenyl)piperazin-1-yl]-1,3-thiazol-4(5H)-one

Catalog ID
STK047276
SMILES CCCCOc1ccccc1/C=C\1/SC(=NC1=O)N1CCN(CC1)c1cccc(c1)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 C25H29N3O2S MW 435.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N3O2S/c1-3-4-16-30-22-11-6-5-9-20(22)18-23-24(29)26-25(31-23)28-14-12-27(13-15-28)21-10-7-8-19(2)17-21/h5-11,17-18H,3-4,12-16H2,1-2H3/b23-18+
InChIKey
MZDXMHFIVVHDDC-PTGBLXJZSA-N
Synonyms
384358-22-9
(5E)5((2BUTOXYPHENYL)METHYLIDENE)2(4(3METHYLPHENYL)PIPERAZIN1YL)13THIAZOL4ONE
(5E)5(2BUTOXYBENZYLIDENE)2(4(3METHYLPHENYL)PIPERAZIN1YL)13THIAZOL4(5H)ONE
(E)5(2butoxybenzylidene)2(4(mtolyl)piperazin1yl)thiazol4(5H)one
384358229
CCCCOC1=CC=CC=C1C=C2C(=O)N=C(S2)N3CCN(CC3)C4=CC=CC(=C4)C
CCCCOc1ccccc1C=C1SC(=NC1=O)N1CCN(CC1)c1cccc(c1)C
InChI=1SC25H29N3O2Sc1341630221165920(22)182324(29)2625(3123)28141227(131528)21107819(2)1721h5111718H341216H212H3b2318+
MFCD02923584
STK047276
ZINC000002312584
ZINC02312584
ZINC2312584

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Available files

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