Vitas-M small molecule compound
1-{6-[5-(3-chlorophenyl)furan-2-yl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK509313
SMILES CSc1nnc2c(n1)OC(c1ccc(o1)c1cccc(c1)Cl)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 C23H17ClN4O3S MW 464.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17ClN4O3S/c1-13(29)28-17-9-4-3-8-16(17)20-21(25-23(32-2)27-26-20)31-22(28)19-11-10-18(30-19)14-6-5-7-15(24)12-14/h3-12,22H,1-2H3InChIKey
IVZAJVGMHPJIBU-UHFFFAOYSA-NSynonyms
1(6(5(3chlorophenyl)furan2yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5(3CHLOROPHENYL)FURAN2YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(O4)C5=CC(=CC=C5)Cl
InChI=1SC23H17ClN4O3Sc113(29)2817943816(17)2021(2523(322)272620)3122(28)19111018(3019)1465715(24)1214h31222H12H3
MFCD02376130
ZINC000001171694
ZINC000001171695
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