Vitas-M small molecule compound
6-(4-chlorophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169816
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(cc1)Cl
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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 C21H21ClN4OS MW 412.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4OS/c1-2-3-6-13-28-21-24-20-18(25-26-21)16-7-4-5-8-17(16)23-19(27-20)14-9-11-15(22)12-10-14/h4-5,7-12,19,23H,2-3,6,13H2,1H3InChIKey
OLIROCKGWMYSEO-UHFFFAOYSA-NSynonyms
352687-34-4352687344
6(4chlorophenyl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(4CHLOROPHENYL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(C=C4)Cl)N=N1
InChI=1SC21H21ClN4OSc1236132821242018(252621)16745817(16)2319(2720)1491115(22)121014h457121923H23613H21H3
MFCD01647678
ZINC000002083688
ZINC000002083689
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