Vitas-M small molecule compound

(2E)-3-({4-chloro-2-[(3,4,5-trimethoxyphenyl)carbonyl]phenyl}amino)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

Catalog ID
STK537055
SMILES N#C/C(=C\Nc1ccc(cc1C(=O)c1cc(OC)c(c(c1)OC)OC)Cl)/c1scc(n1)c1ccccc1

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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 C28H22ClN3O4S MW 532.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22ClN3O4S/c1-34-24-11-18(12-25(35-2)27(24)36-3)26(33)21-13-20(29)9-10-22(21)31-15-19(14-30)28-32-23(16-37-28)17-7-5-4-6-8-17/h4-13,15-16,31H,1-3H3/b19-15+
InChIKey
JRHMZEIHKHSVDO-XDJHFCHBSA-N
Synonyms

(2E)3((4chloro2((345trimethoxyphenyl)carbonyl)phenyl)amino)2(4phenyl13thiazol2yl)prop2enenitrile
(E)3((4chloro2(345trimethoxybenzoyl)phenyl)amino)2(4phenylthiazol2yl)acrylonitrile
(E)3(4CHLORO2(345TRIMETHOXYBENZOYL)ANILINO)2(4PHENYL13THIAZOL2YL)PROP2ENENITRILE
COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C=CC(=C2)Cl)NC=C(C#N)C3=NC(=CS3)C4=CC=CC=C4
InChI=1SC28H22ClN3O4Sc134241118(1225(352)27(24)363)26(33)211320(29)91022(21)311519(1430)283223(163728)177546817h413151631H13H3b1915+
MFCD02982556
N#CC(=CNc1ccc(cc1C(=O)c1cc(OC)c(c(c1)OC)OC)Cl)c1scc(n1)c1ccccc1
ZINC000100747428
ZINC100747428

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Available files

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