Vitas-M small molecule compound
4-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}carbonyl)-2-(propan-2-yl)isoquinolin-1(2H)-one
Catalog ID
STL247521
SMILES O=C(c1cn(C(C)C)c(=O)c2c1cccc2)N1CCN(CC1)C/C=C/c1ccccc1
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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 C26H29N3O2 MW 415.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29N3O2/c1-20(2)29-19-24(22-12-6-7-13-23(22)26(29)31)25(30)28-17-15-27(16-18-28)14-8-11-21-9-4-3-5-10-21/h3-13,19-20H,14-18H2,1-2H3/b11-8+InChIKey
AICRPBFDILGBNU-DHZHZOJOSA-NSynonyms
1374560-25-4(E)4(4cinnamylpiperazine1carbonyl)2isopropylisoquinolin1(2H)one
1374560254
4((4((2E)3phenylprop2en1yl)piperazin1yl)carbonyl)2(propan2yl)isoquinolin1(2H)one
4(4((E)3phenylprop2enyl)piperazine1carbonyl)2propan2ylisoquinolin1one
CC(C)N1C=C(C2=CC=CC=C2C1=O)C(=O)N3CCN(CC3)CC=CC4=CC=CC=C4
InChI=1SC26H29N3O2c120(2)291924(2212671323(22)26(29)31)25(30)28171527(161828)148112194351021h3131920H1418H212H3b118+
MFCD22202788
O=C(c1cn(C(C)C)c(=O)c2c1cccc2)N1CCN(CC1)CC=Cc1ccccc1
ZINC000072404171
ZINC72404171
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