Vitas-M small molecule compound
6-(4-methoxy-3-methylphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169734
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(c(c1)C)OC
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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 C21H22N4O2S MW 394.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O2S/c1-4-11-28-21-23-20-18(24-25-21)15-7-5-6-8-16(15)22-19(27-20)14-9-10-17(26-3)13(2)12-14/h5-10,12,19,22H,4,11H2,1-3H3InChIKey
URLLMKCYMKUJRC-UHFFFAOYSA-NSynonyms
6(4methoxy3methylphenyl)3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(4METHOXY3METHYLPHENYL)3PROPYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4)OC)C)N=N1
InChI=1SC21H22N4O2Sc14112821232018(242521)15756816(15)2219(2720)1491017(263)13(2)1214h510121922H411H213H3
MFCD01159879
ZINC000002093095
ZINC000002093097
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