Vitas-M small molecule compound
1-{6-[5-(3-chloro-2-methylphenyl)furan-2-yl]-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK520927
SMILES CCSc1nnc2c(n1)OC(c1ccc(o1)c1cccc(c1C)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 C25H21ClN4O3S MW 492.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN4O3S/c1-4-34-25-27-23-22(28-29-25)17-8-5-6-11-19(17)30(15(3)31)24(33-23)21-13-12-20(32-21)16-9-7-10-18(26)14(16)2/h5-13,24H,4H2,1-3H3InChIKey
JJXWPILDOWQHTJ-UHFFFAOYSA-NSynonyms
1(6(5(3chloro2methylphenyl)furan2yl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5(3CHLORO2METHYLPHENYL)FURAN2YL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(O4)C5=C(C(=CC=C5)Cl)C)C(=O)C)N=N1
InChI=1SC25H21ClN4O3Sc143425272322(282925)178561119(17)30(15(3)31)24(3323)21131220(3221)16971018(26)14(16)2h51324H4H213H3
MFCD02071172
ZINC000002087002
ZINC000002087003
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