Vitas-M small molecule compound

1-[6-(4-ethylphenyl)-3-(hexylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone

Catalog ID
STK509496
SMILES CCCCCCSc1nnc2c(n1)OC(c1ccc(cc1)CC)N(c1c2cccc1)C(=O)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 C26H30N4O2S MW 462.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O2S/c1-4-6-7-10-17-33-26-27-24-23(28-29-26)21-11-8-9-12-22(21)30(18(3)31)25(32-24)20-15-13-19(5-2)14-16-20/h8-9,11-16,25H,4-7,10,17H2,1-3H3
InChIKey
WQIAFRHSQUVTHU-UHFFFAOYSA-N
Synonyms

1(6(4ethylphenyl)3(hexylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(4ETHYLPHENYL)3HEXYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=C(C=C4)CC)C(=O)C)N=N1
InChI=1SC26H30N4O2Sc146710173326272423(282926)2111891222(21)30(18(3)31)25(3224)20151319(52)141620h89111625H471017H213H3
MFCD13369939
ZINC000003655230
ZINC000003655231

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Available files

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