Vitas-M small molecule compound
[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl](phenyl)methanone
Catalog ID
STK326289
SMILES CCCCSc1nnc2c(n1)OC(Nc1c2cc(Br)cc1)C(=O)c1ccccc1
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C21H19BrN4O2S MW 471.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN4O2S/c1-2-3-11-29-21-24-19-17(25-26-21)15-12-14(22)9-10-16(15)23-20(28-19)18(27)13-7-5-4-6-8-13/h4-10,12,20,23H,2-3,11H2,1H3InChIKey
PHEABIRXFRAIAF-UHFFFAOYSA-NSynonyms
(10bromo3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)(phenyl)methanone
(10BROMO3BUTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLMETHANONE
CCCCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C(=O)C4=CC=CC=C4)N=N1
InChI=1SC21H19BrN4O2Sc123112921241917(252621)151214(22)91016(15)2320(2819)18(27)137546813h410122023H2311H21H3
MFCD02182542
ZINC000009601848
ZINC000009601849
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