Vitas-M small molecule compound
1-[6-(3-chloro-4-methoxyphenyl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK980257
SMILES C=CCSc1nnc2c(n1)OC(c1ccc(c(c1)Cl)OC)N(c1c2cccc1)C(=O)CC
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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 C23H21ClN4O3S MW 468.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN4O3S/c1-4-12-32-23-25-21-20(26-27-23)15-8-6-7-9-17(15)28(19(29)5-2)22(31-21)14-10-11-18(30-3)16(24)13-14/h4,6-11,13,22H,1,5,12H2,2-3H3InChIKey
ALTPIZLAXNDIRV-UHFFFAOYSA-NSynonyms
1(6(3chloro4methoxyphenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(3CHLORO4METHOXYPHENYL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
4(3(ALLYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2CHLOROPHENYLMETHYLETHER
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC(=C(C=C4)OC)Cl
InChI=1SC23H21ClN4O3Sc14123223252120(262723)15867917(15)28(19(29)52)22(3121)14101118(303)16(24)1314h46111322H1512H223H3
MFCD03785003
ZINC000002122477
ZINC000002122479
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