Vitas-M small molecule compound

4-{3-[(4-chlorobenzyl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}-2-ethoxyphenol

Catalog ID
STK326320
SMILES CCOc1cc(ccc1O)C1Oc2nc(SCc3ccc(cc3)Cl)nnc2c2c(N1)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 C25H21ClN4O3S MW 492.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN4O3S/c1-2-32-21-13-16(9-12-20(21)31)23-27-19-6-4-3-5-18(19)22-24(33-23)28-25(30-29-22)34-14-15-7-10-17(26)11-8-15/h3-13,23,27,31H,2,14H2,1H3
InChIKey
QWLKLFIFZOGERW-UHFFFAOYSA-N
Synonyms

4(3((4chlorobenzyl)sulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)2ethoxyphenol
4(3((4chlorophenyl)methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)2ethoxyphenol
CCOC1=C(C=CC(=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=C(C=C5)Cl)O
InChI=1SC25H21ClN4O3Sc1232211316(91220(21)31)232719643518(19)2224(3323)2825(302922)34141571017(26)11815h313232731H214H21H3
MFCD04230700
ZINC000015016035
ZINC000015016036

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Available files

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