Vitas-M small molecule compound

4-[(Z)-2-cyano-2-{4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl}ethenyl]-2-methoxyphenyl acetate

Catalog ID
STK552412
SMILES N#C/C(=C/c1ccc(c(c1)OC)OC(=O)C)/c1scc(n1)c1ccc(cc1)CC(C)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 C25H24N2O3S MW 432.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O3S/c1-16(2)11-18-5-8-20(9-6-18)22-15-31-25(27-22)21(14-26)12-19-7-10-23(30-17(3)28)24(13-19)29-4/h5-10,12-13,15-16H,11H2,1-4H3/b21-12-
InChIKey
KMSUDQLINDLXOV-MTJSOVHGSA-N
Synonyms
683250-26-2
(4((Z)2cyano2(4(4(2methylpropyl)phenyl)13thiazol2yl)ethenyl)2methoxyphenyl)acetate
(Z)4(2cyano2(4(4isobutylphenyl)thiazol2yl)vinyl)2methoxyphenylacetate
4((Z)2cyano2(4(4(2methylpropyl)phenyl)13thiazol2yl)ethenyl)2methoxyphenylacetate
683250262
CC(C)CC1=CC=C(C=C1)C2=CSC(=N2)C(=CC3=CC(=C(C=C3)OC(=O)C)OC)C#N
InChI=1SC25H24N2O3Sc116(2)11185820(9618)22153125(2722)21(1426)121971023(3017(3)28)24(1319)294h51012131516H11H214H3b2112
MFCD03671228
N#CC(=Cc1ccc(c(c1)OC)OC(=O)C)c1scc(n1)c1ccc(cc1)CC(C)C
ZINC000009075502
ZINC09075502
ZINC9075502

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Available files

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