Vitas-M small molecule compound
6-[4-(benzyloxy)-3-bromo-5-methoxyphenyl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169907
SMILES CCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(Br)c(c(c1)OC)OCc1ccccc1
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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 C26H23BrN4O3S MW 551.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23BrN4O3S/c1-3-35-26-29-25-22(30-31-26)18-11-7-8-12-20(18)28-24(34-25)17-13-19(27)23(21(14-17)32-2)33-15-16-9-5-4-6-10-16/h4-14,24,28H,3,15H2,1-2H3InChIKey
VAWPHSPAJDJPLQ-UHFFFAOYSA-NSynonyms
6(3BROMO5METHOXY4PHENYLMETHOXYPHENYL)3ETHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(4(benzyloxy)3bromo5methoxyphenyl)3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5)OC)N=N1
InChI=1SC26H23BrN4O3Sc133526292522(303126)1811781220(18)2824(3425)171319(27)23(21(1417)322)33151695461016h4142428H315H212H3
MFCD01920897
ZINC000002085749
ZINC000002085750
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