Vitas-M small molecule compound

(2E)-N-{3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl}-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enamide

Catalog ID
STK892831
SMILES CC(CC(=O)N1CCN(CC1)c1ccc(cc1Cl)NC(=O)/C=C/c1ccc(o1)c1cc(Cl)ccc1Cl)C

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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 C28H28Cl3N3O3 MW 560.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28Cl3N3O3/c1-18(2)15-28(36)34-13-11-33(12-14-34)25-8-4-20(17-24(25)31)32-27(35)10-6-21-5-9-26(37-21)22-16-19(29)3-7-23(22)30/h3-10,16-18H,11-15H2,1-2H3,(H,32,35)/b10-6+
InChIKey
LMUTWAIRUWCEQP-UXBLZVDNSA-N
Synonyms

(2E)N(3chloro4(4(3methylbutanoyl)piperazin1yl)phenyl)3(5(25dichlorophenyl)furan2yl)prop2enamide
(E)N(3chloro4(4(3methylbutanoyl)piperazin1yl)phenyl)3(5(25dichlorophenyl)furan2yl)prop2enamide
CC(C)CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C=CC3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)Cl
CC(CC(=O)N1CCN(CC1)c1ccc(cc1Cl)NC(=O)C=Cc1ccc(o1)c1cc(Cl)ccc1Cl)C
InChI=1SC28H28Cl3N3O3c118(2)1528(36)34131133(121434)258420(1724(25)31)3227(35)106215926(3721)221619(29)3723(22)30h3101618H1115H212H3(H3235)b106+
MFCD08592890
ZINC000097961946
ZINC97961946

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Available files

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