Vitas-M small molecule compound

6-(3-bromo-4-methoxyphenyl)-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Catalog ID
STL445110
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(c(c1)Br)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 C20H19BrN4O2S MW 459.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN4O2S/c1-3-10-28-20-23-19-17(24-25-20)13-6-4-5-7-15(13)22-18(27-19)12-8-9-16(26-2)14(21)11-12/h4-9,11,18,22H,3,10H2,1-2H3
InChIKey
FLMKVOPMEZMWDX-UHFFFAOYSA-N
Synonyms

2BROMO4(3(PROPYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLMETHYLETHER
6(3bromo4methoxyphenyl)3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(3BROMO4METHOXYPHENYL)3(PROPYLTHIO)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(3BROMO4METHOXYPHENYL)3PROPYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4)OC)Br)N=N1
InChI=1SC20H19BrN4O2Sc13102820231917(242520)13645715(13)2218(2719)128916(262)14(21)1112h49111822H310H212H3
MFCD01019054
ZINC000002912512
ZINC000002912514

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Available files

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