Vitas-M small molecule compound
(2E)-2-(1,3-benzothiazol-2-yl)-3-[4-(morpholin-4-yl)phenyl]prop-2-enenitrile
Catalog ID
STL432808
SMILES N#C/C(=C\c1ccc(cc1)N1CCOCC1)/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 C20H17N3OS MW 347.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3OS/c21-14-16(20-22-18-3-1-2-4-19(18)25-20)13-15-5-7-17(8-6-15)23-9-11-24-12-10-23/h1-8,13H,9-12H2/b16-13+InChIKey
NMOHFZAGATWFCV-DTQAZKPQSA-NSynonyms
(2E)2(13benzothiazol2yl)3(4(morpholin4yl)phenyl)prop2enenitrile
(E)2(13BENZOTHIAZOL2YL)3(4MORPHOLIN4YLPHENYL)PROP2ENENITRILE
C1COCCN1C2=CC=C(C=C2)C=C(C#N)C3=NC4=CC=CC=C4S3
InChI=1SC20H17N3OSc211416(202218312419(18)2520)13155717(8615)2391124121023h1813H912H2b1613+
MFCD04214605
N#CC(=Cc1ccc(cc1)N1CCOCC1)c1nc2c(s1)cccc2
ZINC000004984027
ZINC04984027
ZINC4984027
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