Vitas-M small molecule compound
6-(3-bromo-4,5-dimethoxyphenyl)-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK979957
SMILES CCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(Br)c(c(c1)OC)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 C22H23BrN4O3S MW 503.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN4O3S/c1-4-5-10-31-22-25-21-18(26-27-22)14-8-6-7-9-16(14)24-20(30-21)13-11-15(23)19(29-3)17(12-13)28-2/h6-9,11-12,20,24H,4-5,10H2,1-3H3InChIKey
TUQVCSRPQCDLEI-UHFFFAOYSA-NSynonyms
353766-67-3353766673
6(3bromo45dimethoxyphenyl)3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(3BROMO45DIMETHOXYPHENYL)3BUTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C(=C4)Br)OC)OC)N=N1
InChI=1SC22H23BrN4O3Sc145103122252118(262722)14867916(14)2420(3021)131115(23)19(293)17(1213)282h6911122024H4510H213H3
MFCD01834911
ZINC000002745592
ZINC000002745593
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