Vitas-M small molecule compound

(2E)-2-(1,3-benzothiazol-2-yl)-3-[4-(benzyloxy)-3-methoxyphenyl]prop-2-enenitrile

Catalog ID
STK396730
SMILES N#C/C(=C\c1ccc(c(c1)OC)OCc1ccccc1)/c1nc2c(s1)cccc2

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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 C24H18N2O2S MW 398.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18N2O2S/c1-27-22-14-18(11-12-21(22)28-16-17-7-3-2-4-8-17)13-19(15-25)24-26-20-9-5-6-10-23(20)29-24/h2-14H,16H2,1H3/b19-13+
InChIKey
DTSQKUVTWQYOEW-CPNJWEJPSA-N
Synonyms
302950-71-6
(2E)2(13benzothiazol2yl)3(4(benzyloxy)3methoxyphenyl)prop2enenitrile
(2E)2BENZOTHIAZOL2YL3(3METHOXY4(PHENYLMETHOXY)PHENYL)PROP2ENENITRILE
(E)2(13BENZOTHIAZOL2YL)3(3METHOXY4PHENYLMETHOXYPHENYL)PROP2ENENITRILE
(E)2(benzo(d)thiazol2yl)3(4(benzyloxy)3methoxyphenyl)acrylonitrile
2BENZOTHIAZOL2YL3(4BENZYLOXY3METHOXYPHENYL)ACRYLONITRILE
302950716
COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3S2)OCC4=CC=CC=C4
InChI=1SC24H18N2O2Sc127221418(111221(22)2816177324817)1319(1525)2426209561023(20)2924h214H16H21H3b1913+
MFCD01874684
N#CC(=Cc1ccc(c(c1)OC)OCc1ccccc1)c1nc2c(s1)cccc2
ZINC000004039491
ZINC04039491
ZINC4039491

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Available files

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