Vitas-M small molecule compound

2-(propan-2-yl)-4-({4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}carbonyl)isoquinolin-1(2H)-one

Catalog ID
STL246705
SMILES O=C(c1cn(C(C)C)c(=O)c2c1cccc2)N1CCN(CC1)c1ccc(cn1)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 C23H23F3N4O2 MW 444.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23F3N4O2/c1-15(2)30-14-19(17-5-3-4-6-18(17)22(30)32)21(31)29-11-9-28(10-12-29)20-8-7-16(13-27-20)23(24,25)26/h3-8,13-15H,9-12H2,1-2H3
InChIKey
MQANWSFSRXGPQJ-UHFFFAOYSA-N
Synonyms
1351700-47-4
1351700474
2(propan2yl)4((4(5(trifluoromethyl)pyridin2yl)piperazin1yl)carbonyl)isoquinolin1(2H)one
2isopropyl4(4(5(trifluoromethyl)pyridin2yl)piperazine1carbonyl)isoquinolin1(2H)one
2propan2yl4(4(5(trifluoromethyl)pyridin2yl)piperazine1carbonyl)isoquinolin1one
CC(C)N1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F
InChI=1SC23H23F3N4O2c115(2)301419(17534618(17)22(30)32)21(31)2911928(101229)208716(132720)23(2425)26h381315H912H212H3
MFCD20537572
ZINC000072402593
ZINC72402593

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Available files

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