Vitas-M small molecule compound
1-[6-(5-bromothiophen-2-yl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520940
SMILES C=CCSc1nnc2c(n1)OC(c1ccc(s1)Br)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 C19H15BrN4O2S2 MW 475.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15BrN4O2S2/c1-3-10-27-19-21-17-16(22-23-19)12-6-4-5-7-13(12)24(11(2)25)18(26-17)14-8-9-15(20)28-14/h3-9,18H,1,10H2,2H3InChIKey
WODDEFWXLQDJIA-UHFFFAOYSA-NSynonyms
1(6(5bromothiophen2yl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5BROMOTHIOPHEN2YL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC=C(S4)Br
InChI=1SC19H15BrN4O2S2c13102719211716(222319)12645713(12)24(11(2)25)18(2617)148915(20)2814h3918H110H22H3
MFCD02222378
ZINC000002977035
ZINC000002977036
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