Vitas-M small molecule compound
1-{6-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK520967
SMILES CCCSc1nnc2c(n1)OC(c1ccc(o1)c1ccc(c(c1)Cl)C)N(c1c2cccc1)C(=O)C
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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 C26H23ClN4O3S MW 507.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23ClN4O3S/c1-4-13-35-26-28-24-23(29-30-26)18-7-5-6-8-20(18)31(16(3)32)25(34-24)22-12-11-21(33-22)17-10-9-15(2)19(27)14-17/h5-12,14,25H,4,13H2,1-3H3InChIKey
WUNSSYWDYRDRFQ-UHFFFAOYSA-NSynonyms
1(6(5(3chloro4methylphenyl)furan2yl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5(3CHLORO4METHYLPHENYL)FURAN2YL)3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(5(3CHLORO4METHYLPHENYL)2FURYL)3(PROPYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(O4)C5=CC(=C(C=C5)C)Cl)C(=O)C)N=N1
InChI=1SC26H23ClN4O3Sc14133526282423(293026)18756820(18)31(16(3)32)25(3424)22121121(3322)1710915(2)19(27)1417h5121425H413H213H3
MFCD02168412
ZINC000002087168
ZINC000002087172
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