Vitas-M small molecule compound

6-(4-tert-butylphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Catalog ID
STK791974
SMILES CCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(cc1)C(C)(C)C

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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 C22H24N4OS MW 392.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4OS/c1-5-28-21-24-20-18(25-26-21)16-8-6-7-9-17(16)23-19(27-20)14-10-12-15(13-11-14)22(2,3)4/h6-13,19,23H,5H2,1-4H3
InChIKey
IXWOHKREEDJDKZ-UHFFFAOYSA-N
Synonyms

6(4(TERTBUTYL)PHENYL)3ETHYLTHIO6H7HBENZO(D)124TRIAZINO(65F)13OXAZEPINE
6(4tertbutylphenyl)3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(4TERTBUTYLPHENYL)3ETHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(C=C4)C(C)(C)C)N=N1
InChI=1SC22H24N4OSc152821242018(252621)16867917(16)2319(2720)14101215(131114)22(23)4h6131923H5H214H3
MFCD01018844
ZINC000002977338
ZINC000002977339

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Available files

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