Vitas-M small molecule compound
1-{3-[(2-chlorobenzyl)sulfanyl]-6-(2-propoxynaphthalen-1-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK521847
SMILES CCCOc1ccc2c(c1C1Oc3nc(nnc3c3c(N1C(=O)C)cccc3)SCc1ccccc1Cl)cccc2
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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 C32H27ClN4O3S MW 583.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27ClN4O3S/c1-3-18-39-27-17-16-21-10-4-6-12-23(21)28(27)31-37(20(2)38)26-15-9-7-13-24(26)29-30(40-31)34-32(36-35-29)41-19-22-11-5-8-14-25(22)33/h4-17,31H,3,18-19H2,1-2H3InChIKey
PZEKQBQWQWHORW-UHFFFAOYSA-NSynonyms
1(3((2chlorobenzyl)sulfanyl)6(2propoxynaphthalen1yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3((2CHLOROPHENYL)METHYLSULFANYL)6(2PROPOXYNAPHTHALEN1YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
1(7ACETYL3((2CHLOROBENZYL)SULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2NAPHTHYLPROPYLETHER
CCCOC1=C(C2=CC=CC=C2C=C1)C3N(C4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC6=CC=CC=C6Cl)C(=O)C
InChI=1SC32H27ClN4O3Sc1318392717162110461223(21)28(27)3137(20(2)38)2615971324(26)2930(4031)3432(363529)41192211581425(22)33h41731H31819H212H3
MFCD03785006
ZINC000002122489
ZINC000002122492
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