Vitas-M small molecule compound

(2E)-N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3-(furan-2-yl)prop-2-enamide

Catalog ID
STK254264
SMILES O=C(NC(=S)Nc1ccc(c(c1)Cl)N1CCN(CC1)c1c(F)c(F)c(c(c1F)F)F)/C=C/c1ccco1

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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 C24H18ClF5N4O2S MW 556.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H18ClF5N4O2S/c25-15-12-13(31-24(37)32-17(35)6-4-14-2-1-11-36-14)3-5-16(15)33-7-9-34(10-8-33)23-21(29)19(27)18(26)20(28)22(23)30/h1-6,11-12H,7-10H2,(H2,31,32,35,37)/b6-4+
InChIKey
CDWOJGZBBWGRNA-GQCTYLIASA-N
Synonyms

(2E)N((3chloro4(4(pentafluorophenyl)piperazin1yl)phenyl)carbamothioyl)3(furan2yl)prop2enamide
(E)N((3chloro4(4(23456pentafluorophenyl)piperazin1yl)phenyl)carbamothioyl)3(furan2yl)prop2enamide
C1CN(CCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CO3)Cl)C4=C(C(=C(C(=C4F)F)F)F)F
InChI=1SC24H18ClF5N4O2Sc25151213(3124(37)3217(35)641421113614)3516(15)337934(10833)2321(29)19(27)18(26)20(28)22(23)30h161112H710H2(H231323537)b64+
MFCD03836761
O=C(NC(=S)Nc1ccc(c(c1)Cl)N1CCN(CC1)c1c(F)c(F)c(c(c1F)F)F)C=Cc1ccco1
ZINC000004122699
ZINC4122699

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Available files

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