Vitas-M small molecule compound
1-[6-(3-bromo-4-methoxyphenyl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521094
SMILES C=CCSc1nnc2c(n1)OC(c1ccc(c(c1)Br)OC)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 C22H19BrN4O3S MW 499.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN4O3S/c1-4-11-31-22-24-20-19(25-26-22)15-7-5-6-8-17(15)27(13(2)28)21(30-20)14-9-10-18(29-3)16(23)12-14/h4-10,12,21H,1,11H2,2-3H3InChIKey
HVRDZRLDSGMYDN-UHFFFAOYSA-NSynonyms
1(6(3bromo4methoxyphenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(3BROMO4METHOXYPHENYL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
4(7ACETYL3(ALLYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2BROMOPHENYLMETHYLETHER
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC(=C(C=C4)OC)Br
InChI=1SC22H19BrN4O3Sc14113122242019(252622)15756817(15)27(13(2)28)21(3020)1491018(293)16(23)1214h4101221H111H223H3
MFCD02952098
ZINC000002113608
ZINC000002113610
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