Vitas-M small molecule compound
1-[6-(6-chloro-1,3-benzodioxol-5-yl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Catalog ID
STK522029
SMILES CCCC(=O)N1c2ccccc2c2c(OC1c1cc3OCOc3cc1Cl)nc(nn2)SCC
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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/c1-3-7-19(29)28-16-9-6-5-8-13(16)20-21(25-23(27-26-20)33-4-2)32-22(28)14-10-17-18(11-15(14)24)31-12-30-17/h5-6,8-11,22H,3-4,7,12H2,1-2H3InChIKey
CZWREPWQHOWCGZ-UHFFFAOYSA-NSynonyms
1(6(6chloro13benzodioxol5yl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(6(6CHLORO13BENZODIOXOL5YL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)BUTAN1ONE
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC)C4=CC5=C(C=C4Cl)OCO5
InChI=1SC23H21ClN4O4Sc13719(29)2816965813(16)2021(2523(272620)3342)3222(28)14101718(1115(14)24)31123017h5681122H34712H212H3
MFCD04216474
ZINC000001132167
ZINC000001132168
Check stock
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