Vitas-M small molecule compound
1-[6-(2-bromo-5-ethoxyphenyl)-3-(butylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980051
SMILES CCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(OCC)ccc1Br
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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 C24H25BrN4O3S MW 529.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25BrN4O3S/c1-4-6-13-33-24-26-22-21(27-28-24)17-9-7-8-10-20(17)29(15(3)30)23(32-22)18-14-16(31-5-2)11-12-19(18)25/h7-12,14,23H,4-6,13H2,1-3H3InChIKey
NNNHTARWZUJBCM-UHFFFAOYSA-NSynonyms
1(6(2bromo5ethoxyphenyl)3(butylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(2BROMO5ETHOXYPHENYL)3BUTYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(2BROMO5ETHOXYPHENYL)3(BUTYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=CC(=C4)OCC)Br)C(=O)C)N=N1
InChI=1SC24H25BrN4O3Sc146133324262221(272824)179781020(17)29(15(3)30)23(3222)181416(3152)111219(18)25h7121423H4613H213H3
MFCD02326667
ZINC000002094760
ZINC000002094762
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