Vitas-M small molecule compound
6-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169902
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(Cl)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 C29H29ClN4O3S MW 549.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN4O3S/c1-3-4-10-15-38-29-32-28-25(33-34-29)21-13-8-9-14-23(21)31-27(37-28)20-16-22(30)26(24(17-20)35-2)36-18-19-11-6-5-7-12-19/h5-9,11-14,16-17,27,31H,3-4,10,15,18H2,1-2H3InChIKey
ZDEZZLOHQMEADV-UHFFFAOYSA-NSynonyms
353789-16-9353789169
6(3CHLORO5METHOXY4PHENYLMETHOXYPHENYL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(4(benzyloxy)3chloro5methoxyphenyl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C(=C4)Cl)OCC5=CC=CC=C5)OC)N=N1
InChI=1SC29H29ClN4O3Sc13410153829322825(333429)2113891423(21)3127(3728)201622(30)26(24(1720)352)361819116571219h59111416172731H34101518H212H3
MFCD01920891
ZINC000002085743
ZINC000002085744
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