Vitas-M small molecule compound

2-chloro-6-methoxy-4-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol

Catalog ID
STL169895
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(Cl)c(c(c1)OC)O

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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 C20H19ClN4O3S MW 430.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O3S/c1-3-8-29-20-23-19-16(24-25-20)12-6-4-5-7-14(12)22-18(28-19)11-9-13(21)17(26)15(10-11)27-2/h4-7,9-10,18,22,26H,3,8H2,1-2H3
InChIKey
SWMUSYWEOLQXRR-UHFFFAOYSA-N
Synonyms

2chloro6methoxy4(3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenol
2CHLORO6METHOXY4(3PROPYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENOL
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C(=C4)Cl)O)OC)N=N1
InChI=1SC20H19ClN4O3Sc1382920231916(242520)12645714(12)2218(2819)11913(21)17(26)15(1011)272h47910182226H38H212H3
MFCD01920806
ZINC000002085597
ZINC000002085598

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Available files

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