Vitas-M small molecule compound

6-[5-(2-chlorophenyl)furan-2-yl]-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Catalog ID
STL169857
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(o1)c1ccccc1Cl

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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 C25H23ClN4O2S MW 479.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN4O2S/c1-2-3-8-15-33-25-28-24-22(29-30-25)17-10-5-7-12-19(17)27-23(32-24)21-14-13-20(31-21)16-9-4-6-11-18(16)26/h4-7,9-14,23,27H,2-3,8,15H2,1H3
InChIKey
UIOQUVUPLJOTMX-UHFFFAOYSA-N
Synonyms

6(5(2chlorophenyl)furan2yl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(5(2chlorophenyl)furan2yl)3pentylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepine
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=CC=CC=C5Cl)N=N1
InChI=1SC25H23ClN4O2Sc1238153325282422(293025)1710571219(17)2723(3224)21141320(3121)169461118(16)26h479142327H23815H21H3
MFCD01919623
ZINC000002743156
ZINC000002743157

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Available files

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