Vitas-M small molecule compound
3-{[4-(2-chloro-4-fluorobenzyl)piperazin-1-yl]carbonyl}-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one
Catalog ID
STL178884
SMILES Fc1ccc(c(c1)Cl)CN1CCN(CC1)C(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1
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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 C25H26ClFN4O2 MW 468.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClFN4O2/c26-21-15-19(27)7-5-18(21)16-29-10-12-30(13-11-29)24(32)17-6-8-20-22(14-17)28-23-4-2-1-3-9-31(23)25(20)33/h5-8,14-15H,1-4,9-13,16H2InChIKey
GXEWVLMZIQMAHO-UHFFFAOYSA-NSynonyms
938011-58-63((4(2chloro4fluorobenzyl)piperazin1yl)carbonyl)78910tetrahydroazepino(21b)quinazolin12(6H)one
3(4((2chloro4fluorophenyl)methyl)piperazine1carbonyl)78910tetrahydro6Hazepino(21b)quinazolin12one
938011586
C1CCC2=NC3=C(C=CC(=C3)C(=O)N4CCN(CC4)CC5=C(C=C(C=C5)F)Cl)C(=O)N2CC1
InChI=1SC25H26ClFN4O2c26211519(27)7518(21)1629101230(131129)24(32)17682022(1417)28234213931(23)25(20)33h581415H1491316H2
MFCD08555314
ZINC000031786469
ZINC31786469
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