Vitas-M small molecule compound

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

Catalog ID
STK509494
SMILES CCCCCCSc1nnc2c(n1)OC(c1ccc(c(c1)OC)OC)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 C26H30N4O4S MW 494.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N4O4S/c1-5-6-7-10-15-35-26-27-24-23(28-29-26)19-11-8-9-12-20(19)30(17(2)31)25(34-24)18-13-14-21(32-3)22(16-18)33-4/h8-9,11-14,16,25H,5-7,10,15H2,1-4H3
InChIKey
BZNMDFRAGNLBSJ-UHFFFAOYSA-N
Synonyms

1(6(34dimethoxyphenyl)3(hexylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(34DIMETHOXYPHENYL)3HEXYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C=C4)OC)OC)C(=O)C)N=N1
InChI=1SC26H30N4O4Sc156710153526272423(282926)1911891220(19)30(17(2)31)25(3424)18131421(323)22(1618)334h8911141625H571015H214H3
MFCD13369938
ZINC000003655212
ZINC000003655213

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Available files

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