Vitas-M small molecule compound
1-{3-[(2-chlorobenzyl)sulfanyl]-6-(2-methoxynaphthalen-1-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK521882
SMILES COc1ccc2c(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 C30H23ClN4O3S MW 555.06 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23ClN4O3S/c1-18(36)35-24-14-8-6-12-22(24)27-28(32-30(34-33-27)39-17-20-10-4-7-13-23(20)31)38-29(35)26-21-11-5-3-9-19(21)15-16-25(26)37-2/h3-16,29H,17H2,1-2H3InChIKey
IMCXXSDGTUZRHF-UHFFFAOYSA-NSynonyms
1(3((2chlorobenzyl)sulfanyl)6(2methoxynaphthalen1yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3((2CHLOROPHENYL)METHYLSULFANYL)6(2METHOXYNAPHTHALEN1YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
1(7ACETYL3((2CHLOROBENZYL)SULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2NAPHTHYLMETHYLETHER
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC4=CC=CC=C4Cl)C5=C(C=CC6=CC=CC=C65)OC
InChI=1SC30H23ClN4O3Sc118(36)352414861222(24)2728(3230(343327)39172010471323(20)31)3829(35)26211153919(21)151625(26)372h31629H17H212H3
MFCD03784964
ZINC000002114344
ZINC000002114346
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