Vitas-M small molecule compound
1-[6-(7-methoxy-1,3-benzodioxol-5-yl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK980260
SMILES C=CCSc1nnc2c(n1)OC(c1cc(OC)c3c(c1)OCO3)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 C24H22N4O5S MW 478.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5S/c1-4-10-34-24-25-22-20(26-27-24)15-8-6-7-9-16(15)28(19(29)5-2)23(33-22)14-11-17(30-3)21-18(12-14)31-13-32-21/h4,6-9,11-12,23H,1,5,10,13H2,2-3H3InChIKey
SOZSAGGQGIHCQK-UHFFFAOYSA-NSynonyms
1(6(7methoxy13benzodioxol5yl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(7METHOXY13BENZODIOXOL5YL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(3(ALLYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)13BENZODIOXOL4YLMETHYLETHER
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC5=C(C(=C4)OC)OCO5
InChI=1SC24H22N4O5Sc14103424252220(262724)15867916(15)28(19(29)52)23(3322)141117(303)2118(1214)31133221h469111223H151013H223H3
MFCD03838528
ZINC000002122457
ZINC000002122459
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