Vitas-M small molecule compound
6-[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169905
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(Cl)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 C30H31ClN4O3S MW 563.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31ClN4O3S/c1-3-5-11-16-39-30-33-29-26(34-35-30)22-14-9-10-15-24(22)32-28(38-29)21-17-23(31)27(25(18-21)36-4-2)37-19-20-12-7-6-8-13-20/h6-10,12-15,17-18,28,32H,3-5,11,16,19H2,1-2H3InChIKey
IEJHOLDCDVVHHA-UHFFFAOYSA-NSynonyms
354547-17-4354547174
6(3CHLORO5ETHOXY4PHENYLMETHOXYPHENYL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(4(benzyloxy)3chloro5ethoxyphenyl)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)OCC)N=N1
InChI=1SC30H31ClN4O3Sc13511163930332926(343530)22149101524(22)3228(3829)211723(31)27(25(1821)3642)371920127681320h610121517182832H35111619H212H3
MFCD01920855
ZINC000002747002
ZINC000002747003
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