Vitas-M small molecule compound
2-[7-acetyl-3-(prop-2-en-1-ylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-bromo-4-chlorophenyl acetate
Catalog ID
STK521154
SMILES C=CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(Cl)cc(c1OC(=O)C)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 C23H18BrClN4O4S MW 561.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrClN4O4S/c1-4-9-34-23-26-21-19(27-28-23)15-7-5-6-8-18(15)29(12(2)30)22(33-21)16-10-14(25)11-17(24)20(16)32-13(3)31/h4-8,10-11,22H,1,9H2,2-3H3InChIKey
MZGFITWQTCKTMW-UHFFFAOYSA-NSynonyms
(2(7ACETYL3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)6BROMO4CHLOROPHENYL)ACETATE
2(7ACETYL3(ALLYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)6BROMO4CHLOROPHENYLACETATE
2(7acetyl3(prop2en1ylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)6bromo4chlorophenylacetate
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC(=CC(=C4OC(=O)C)Br)Cl
InChI=1SC23H18BrClN4O4Sc1493423262119(272823)15756818(15)29(12(2)30)22(3321)161014(25)1117(24)20(16)3213(3)31h48101122H19H223H3
MFCD02952108
ZINC000002113646
ZINC000002113648
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