Vitas-M small molecule compound
1-[6-(1,3-benzodioxol-5-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521022
SMILES CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc2c(c1)OCO2
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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 C21H18N4O4S MW 422.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N4O4S/c1-3-17(26)25-14-7-5-4-6-13(14)18-19(22-21(30-2)24-23-18)29-20(25)12-8-9-15-16(10-12)28-11-27-15/h4-10,20H,3,11H2,1-2H3InChIKey
CNTKGRMQQYGWPT-UHFFFAOYSA-NSynonyms
1(6(13benzodioxol5yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(13BENZODIOXOL5YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(13BENZODIOXOL5YL)3(METHYLTHIO)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC5=C(C=C4)OCO5
InChI=1SC21H18N4O4Sc1317(26)2514754613(14)1819(2221(302)242318)2920(25)12891516(1012)28112715h41020H311H212H3
MFCD02376891
ZINC000001184902
ZINC000001184903
Check stock
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