Vitas-M small molecule compound
1-(2-methoxydibenzo[b,d]furan-3-yl)-3-(2-methoxy-4-nitrophenyl)thiourea
Catalog ID
STK455692
SMILES COc1cc2c(cc1NC(=S)Nc1ccc(cc1OC)[N+](=O)[O-])oc1c2cccc1
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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 C21H17N3O5S MW 423.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O5S/c1-27-19-9-12(24(25)26)7-8-15(19)22-21(30)23-16-11-18-14(10-20(16)28-2)13-5-3-4-6-17(13)29-18/h3-11H,1-2H3,(H2,22,23,30)InChIKey
LOFABADIGRRIQD-UHFFFAOYSA-NSynonyms
((2METHOXYBENZO(34B)BENZO(D)FURAN3YL)AMINO)((2METHOXY4NITROPHENYL)AMINO)METHANE1THIONE
1(2methoxydibenzo(bd)furan3yl)3(2methoxy4nitrophenyl)thiourea
1(2METHOXYDIBENZOFURAN3YL)3(2METHOXY4NITROPHENYL)THIOUREA
COC1=C(C=CC(=C1)(N+)(=O)(O))NC(=S)NC2=C(C=C3C4=CC=CC=C4OC3=C2)OC
COc1cc2c(cc1NC(=S)Nc1ccc(cc1OC)(N+)(=O)(O))oc1c2cccc1
InChI=1SC21H17N3O5Sc12719912(24(25)26)7815(19)2221(30)2316111814(1020(16)282)13534617(13)2918h311H12H3(H2222330)
MFCD04227422
ZINC000016346311
ZINC16346311
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