Vitas-M small molecule compound
6-(2,4-dichlorophenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK979947
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(cc1Cl)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 C21H20Cl2N4OS MW 447.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20Cl2N4OS/c1-2-3-6-11-29-21-25-20-18(26-27-21)15-7-4-5-8-17(15)24-19(28-20)14-10-9-13(22)12-16(14)23/h4-5,7-10,12,19,24H,2-3,6,11H2,1H3InChIKey
QOUCQXFPQZKCTL-UHFFFAOYSA-NSynonyms
676474-64-96(24dichlorophenyl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(24dichlorophenyl)3pentylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepine
676474649
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C=C(C=C4)Cl)Cl)N=N1
InChI=1SC21H20Cl2N4OSc1236112921252018(262721)15745817(15)2419(2820)1410913(22)1216(14)23h45710121924H23611H21H3
MFCD01919519
ZINC000002742982
ZINC000002742983
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