Vitas-M small molecule compound
4-{4-[bis(2-chloroethyl)amino]phenyl}-2-hydroxy-7,7-dimethyl-4,6,7,8-tetrahydroquinolin-5(3H)-one
Catalog ID
STK654245
SMILES ClCCN(c1ccc(cc1)C1CC(=NC2=C1C(=O)CC(C2)(C)C)O)CCCl
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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 C21H26Cl2N2O2 MW 409.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26Cl2N2O2/c1-21(2)12-17-20(18(26)13-21)16(11-19(27)24-17)14-3-5-15(6-4-14)25(9-7-22)10-8-23/h3-6,16H,7-13H2,1-2H3,(H,24,27)InChIKey
VAIWEIABUOKEMT-UHFFFAOYSA-NSynonyms
128839-41-8128839418
4(4(bis(2chloroethyl)amino)phenyl)2hydroxy77dimethyl4678tetrahydroquinolin5(3H)one
4(4(bis(2chloroethyl)amino)phenyl)77dimethyl3468tetrahydro1Hquinoline25dione
CC1(CC2=C(C(CC(=O)N2)C3=CC=C(C=C3)N(CCCl)CCCl)C(=O)C1)C
InChI=1SC21H26Cl2N2O2c121(2)121720(18(26)1321)16(1119(27)2417)143515(6414)25(9722)10823h3616H713H212H3(H2427)
MFCD18166965
ZINC000004733597
ZINC000004733601
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