Vitas-M small molecule compound

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

Catalog ID
STK521214
SMILES CCSc1nnc2c(n1)OC(c1ccc(cc1)SC)N(c1c2cccc1)C(=O)CC

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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 C22H22N4O2S2 MW 438.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S2/c1-4-18(27)26-17-9-7-6-8-16(17)19-20(23-22(25-24-19)30-5-2)28-21(26)14-10-12-15(29-3)13-11-14/h6-13,21H,4-5H2,1-3H3
InChIKey
CVKXLTVBYVCWOR-UHFFFAOYSA-N
Synonyms

1(3(ethylsulfanyl)6(4(methylsulfanyl)phenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(3ETHYLSULFANYL6(4METHYLSULFANYLPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
3(ETHYLSULFANYL)6(4(METHYLSULFANYL)PHENYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC)C4=CC=C(C=C4)SC
InChI=1SC22H22N4O2S2c1418(27)2617976816(17)1920(2322(252419)3052)2821(26)14101215(293)131114h61321H45H213H3
MFCD03080474
ZINC000000684696
ZINC000000684697

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Available files

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