Vitas-M small molecule compound

1-[3-(ethylsulfanyl)-6-(3-methylthiophen-2-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one

Catalog ID
STK521236
SMILES CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)CC)c1sccc1C

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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 C20H20N4O2S2 MW 412.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O2S2/c1-4-15(25)24-14-9-7-6-8-13(14)16-18(21-20(23-22-16)27-5-2)26-19(24)17-12(3)10-11-28-17/h6-11,19H,4-5H2,1-3H3
InChIKey
DAJPHLNARLAKNU-UHFFFAOYSA-N
Synonyms

1(3(ethylsulfanyl)6(3methylthiophen2yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(3ETHYLSULFANYL6(3METHYLTHIOPHEN2YL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC)C4=C(C=CS4)C
ETHYL6(3METHYL2THIENYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLSULFIDE
InChI=1SC20H20N4O2S2c1415(25)2414976813(14)1618(2120(232216)2752)2619(24)1712(3)10112817h61119H45H213H3
MFCD03080483
ZINC000000684714
ZINC000000684715

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Available files

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