Vitas-M small molecule compound
1-[3-(methylsulfanyl)-6-(2,4,6-tribromo-3-hydroxyphenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509205
SMILES CSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1c(Br)cc(c(c1Br)O)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 C19H13Br3N4O3S MW 617.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13Br3N4O3S/c1-8(27)26-12-6-4-3-5-9(12)15-17(23-19(30-2)25-24-15)29-18(26)13-10(20)7-11(21)16(28)14(13)22/h3-7,18,28H,1-2H3InChIKey
CTVJIPYAVXERKE-UHFFFAOYSA-NSynonyms
1(3(methylsulfanyl)6(246tribromo3hydroxyphenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3methylsulfanyl6(246tribromo3hydroxyphenyl)6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C(=C(C=C4Br)Br)O)Br
InChI=1SC19H13Br3N4O3Sc18(27)261264359(12)1517(2319(302)252415)2918(26)1310(20)711(21)16(28)14(13)22h371828H12H3
MFCD04230601
ZINC000150355028
ZINC000150355030
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