Vitas-M small molecule compound
6-[4-(benzyloxy)-3-bromo-5-ethoxyphenyl]-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169901
SMILES CCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(Br)c(c(c1)OCC)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 C29H29BrN4O3S MW 593.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN4O3S/c1-3-5-15-38-29-32-28-25(33-34-29)21-13-9-10-14-23(21)31-27(37-28)20-16-22(30)26(24(17-20)35-4-2)36-18-19-11-7-6-8-12-19/h6-14,16-17,27,31H,3-5,15,18H2,1-2H3InChIKey
XKWJBWXJFUCMKO-UHFFFAOYSA-NSynonyms
6(3BROMO5ETHOXY4PHENYLMETHOXYPHENYL)3BUTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(4(benzyloxy)3bromo5ethoxyphenyl)3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C(=C4)Br)OCC5=CC=CC=C5)OCC)N=N1
InChI=1SC29H29BrN4O3Sc135153829322825(333429)21139101423(21)3127(3728)201622(30)26(24(1720)3542)361819117681219h61416172731H351518H212H3
MFCD01920990
ZINC000002085829
ZINC000002085830
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