Vitas-M small molecule compound
4-[2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
Catalog ID
STK807472
SMILES S=C(N1CCN(CC1)CCn1c(=O)c2cccc3c2c(c1=O)ccc3)Nc1cccc(c1)C(F)(F)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 C26H23F3N4O2S MW 512.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23F3N4O2S/c27-26(28,29)18-6-3-7-19(16-18)30-25(36)32-13-10-31(11-14-32)12-15-33-23(34)20-8-1-4-17-5-2-9-21(22(17)20)24(33)35/h1-9,16H,10-15H2,(H,30,36)InChIKey
UYRLEKPGNLXWSL-UHFFFAOYSA-NSynonyms
4(2(13dioxo1Hbenzo(de)isoquinolin2(3H)yl)ethyl)N(3(trifluoromethyl)phenyl)piperazine1carbothioamide
4(2(13DIOXOBENZO(DE)ISOQUINOLIN2YL)ETHYL)N(3(TRIFLUOROMETHYL)PHENYL)PIPERAZINE1CARBOTHIOAMIDE
C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=S)NC5=CC=CC(=C5)C(F)(F)F
InChI=1SC26H23F3N4O2Sc2726(2829)1863719(1618)3025(36)32131031(111432)12153323(34)208141752921(22(17)20)24(33)35h1916H1015H2(H3036)
MFCD04444574
ZINC000020281525
ZINC20281525
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