Vitas-M small molecule compound

1-[10-bromo-6-(4-ethylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone

Catalog ID
STK509485
SMILES CCc1ccc(cc1)C1Oc2nc(SC)nnc2c2c(N1C(=O)C)ccc(c2)Br

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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 C21H19BrN4O2S MW 471.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN4O2S/c1-4-13-5-7-14(8-6-13)20-26(12(2)27)17-10-9-15(22)11-16(17)18-19(28-20)23-21(29-3)25-24-18/h5-11,20H,4H2,1-3H3
InChIKey
PUCDQBCSQZQQTC-UHFFFAOYSA-N
Synonyms

1(10bromo6(4ethylphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(10bromo6(4ethylphenyl)3methylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CCC1=CC=C(C=C1)C2N(C3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SC)C(=O)C
InChI=1SC21H19BrN4O2Sc14135714(8613)2026(12(2)27)1710915(22)1116(17)1819(2820)2321(293)252418h51120H4H213H3
MFCD13369937
ZINC000015016693
ZINC000015016694

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Available files

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