Vitas-M small molecule compound

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

Catalog ID
STK536042
SMILES N#C/C(=C\Nc1ccc(cc1C(=O)c1cc(OC)c(c(c1)OC)OC)Cl)/c1scc(n1)c1ccc(cc1)F

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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 C28H21ClFN3O4S MW 550.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClFN3O4S/c1-35-24-10-17(11-25(36-2)27(24)37-3)26(34)21-12-19(29)6-9-22(21)32-14-18(13-31)28-33-23(15-38-28)16-4-7-20(30)8-5-16/h4-12,14-15,32H,1-3H3/b18-14+
InChIKey
UDYUXTXEYSROCE-NBVRZTHBSA-N
Synonyms

(2E)3((4chloro2((345trimethoxyphenyl)carbonyl)phenyl)amino)2(4(4fluorophenyl)13thiazol2yl)prop2enenitrile
(E)3((4chloro2(345trimethoxybenzoyl)phenyl)amino)2(4(4fluorophenyl)thiazol2yl)acrylonitrile
(E)3(4CHLORO2(345TRIMETHOXYBENZOYL)ANILINO)2(4(4FLUOROPHENYL)13THIAZOL2YL)PROP2ENENITRILE
COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C=CC(=C2)Cl)NC=C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)F
InChI=1SC28H21ClFN3O4Sc135241017(1125(362)27(24)373)26(34)211219(29)6922(21)321418(1331)283323(153828)164720(30)8516h412141532H13H3b1814+
MFCD02984836
N#CC(=CNc1ccc(cc1C(=O)c1cc(OC)c(c(c1)OC)OC)Cl)c1scc(n1)c1ccc(cc1)F
ZINC000001856852
ZINC01856852
ZINC1856852

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Available files

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