Vitas-M small molecule compound

(2E)-3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Catalog ID
STK536407
SMILES COc1cccc(c1)c1csc(n1)/C(=C/Nc1cc2OCOc2cc1C(=O)C)/C#N

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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 C22H17N3O4S MW 419.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O4S/c1-13(26)17-7-20-21(29-12-28-20)8-18(17)24-10-15(9-23)22-25-19(11-30-22)14-4-3-5-16(6-14)27-2/h3-8,10-11,24H,12H2,1-2H3/b15-10+
InChIKey
XZYDHVJBIDBDFR-XNTDXEJSSA-N
Synonyms

(2E)3((6acetyl13benzodioxol5yl)amino)2(4(3methoxyphenyl)13thiazol2yl)prop2enenitrile
(E)3((6ACETYL13BENZODIOXOL5YL)AMINO)2(4(3METHOXYPHENYL)13THIAZOL2YL)PROP2ENENITRILE
(E)3((6acetylbenzo(d)(13)dioxol5yl)amino)2(4(3methoxyphenyl)thiazol2yl)acrylonitrile
CC(=O)C1=CC2=C(C=C1NC=C(C#N)C3=NC(=CS3)C4=CC(=CC=C4)OC)OCO2
COc1cccc(c1)c1csc(n1)C(=CNc1cc2OCOc2cc1C(=O)C)C#N
InChI=1SC22H17N3O4Sc113(26)1772021(29122820)818(17)241015(923)222519(113022)1443516(614)272h38101124H12H212H3b1510+
MFCD02983910
ZINC000001258901
ZINC01258901
ZINC1258901

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Available files

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