Vitas-M small molecule compound
6-[5-(5-chloro-2-methylphenyl)furan-2-yl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STK979989
SMILES CCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(o1)c1cc(Cl)ccc1C
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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 C23H19ClN4O2S MW 450.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN4O2S/c1-3-31-23-26-22-20(27-28-23)15-6-4-5-7-17(15)25-21(30-22)19-11-10-18(29-19)16-12-14(24)9-8-13(16)2/h4-12,21,25H,3H2,1-2H3InChIKey
YPNKNIPCZCFUJG-UHFFFAOYSA-NSynonyms
676475-68-66(5(5chloro2methylphenyl)furan2yl)3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(5(5chloro2methylphenyl)furan2yl)3ethylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepine
676475686
CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=C(C=CC(=C5)Cl)C)N=N1
InChI=1SC23H19ClN4O2Sc133123262220(272823)15645717(15)2521(3022)19111018(2919)161214(24)9813(16)2h4122125H3H212H3
MFCD01921529
ZINC000002748791
ZINC000002748792
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