Vitas-M small molecule compound
1-[6-(6-chloro-1,3-benzodioxol-5-yl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521941
SMILES CCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)CC)c1cc2OCOc2cc1Cl
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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 C23H21ClN4O4S MW 484.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21ClN4O4S/c1-3-9-33-23-25-21-20(26-27-23)13-7-5-6-8-16(13)28(19(29)4-2)22(32-21)14-10-17-18(11-15(14)24)31-12-30-17/h5-8,10-11,22H,3-4,9,12H2,1-2H3InChIKey
PLTXGLHZUVYFEA-UHFFFAOYSA-NSynonyms
1(6(6chloro13benzodioxol5yl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(6CHLORO13BENZODIOXOL5YL)3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC5=C(C=C4Cl)OCO5)C(=O)CC)N=N1
InChI=1SC23H21ClN4O4Sc1393323252120(262723)13756816(13)28(19(29)42)22(3221)14101718(1115(14)24)31123017h58101122H34912H212H3
MFCD03999792
ZINC000002839786
ZINC000002839787
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