Vitas-M small molecule compound

1-[6-(2,4-dichlorophenyl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone

Catalog ID
STK326315
SMILES C=CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1ccc(cc1Cl)Cl

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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 C21H16Cl2N4O2S MW 459.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Cl2N4O2S/c1-3-10-30-21-24-19-18(25-26-21)15-6-4-5-7-17(15)27(12(2)28)20(29-19)14-9-8-13(22)11-16(14)23/h3-9,11,20H,1,10H2,2H3
InChIKey
CKUUNTAMOMPLIE-UHFFFAOYSA-N
Synonyms

1(6(24dichlorophenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(24DICHLOROPHENYL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(ALLYLSULFANYL)6(24DICHLOROPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=C(C=C(C=C4)Cl)Cl
InChI=1SC21H16Cl2N4O2Sc13103021241918(252621)15645717(15)27(12(2)28)20(2919)149813(22)1116(14)23h391120H110H22H3
MFCD02952118
ZINC000002113689
ZINC000002113690

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Available files

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