Vitas-M small molecule compound
1-[6-(1-acetyl-1H-indol-3-yl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520945
SMILES CCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cn(c2c1cccc2)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 C25H23N5O3S MW 473.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O3S/c1-4-13-34-25-26-23-22(27-28-25)18-10-6-8-12-21(18)30(16(3)32)24(33-23)19-14-29(15(2)31)20-11-7-5-9-17(19)20/h5-12,14,24H,4,13H2,1-3H3InChIKey
QPDPQLJWKLUXIT-UHFFFAOYSA-NSynonyms
6373-85-91(3(7ACETYL3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)INDOL1YL)ETHANONE
1(6(1acetyl1Hindol3yl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
6373859
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CN(C5=CC=CC=C54)C(=O)C)C(=O)C)N=N1
InChI=1SC25H23N5O3Sc14133425262322(272825)1810681221(18)30(16(3)32)24(3323)191429(15(2)31)201175917(19)20h5121424H413H213H3
MFCD02168409
ZINC000002977399
ZINC000002977400
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