Vitas-M small molecule compound
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-yl]thiourea
Catalog ID
STK465976
SMILES COc1cc(CCNC(=S)Nc2ccc(c3c2non3)N2CCOCC2)ccc1OC
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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 C21H25N5O4S MW 443.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O4S/c1-27-17-6-3-14(13-18(17)28-2)7-8-22-21(31)23-15-4-5-16(20-19(15)24-30-25-20)26-9-11-29-12-10-26/h3-6,13H,7-12H2,1-2H3,(H2,22,23,31)InChIKey
MLVVKQMXDIJNDL-UHFFFAOYSA-NSynonyms
((2(34DIMETHOXYPHENYL)ETHYL)AMINO)((7MORPHOLIN4YLBENZO(23C)125OXADIAZOL4YL)AMINO)METHANE1THIONE
1(2(34DIMETHOXYPHENYL)ETHYL)3(4MORPHOLIN4YL213BENZOXADIAZOL7YL)THIOUREA
1(2(34dimethoxyphenyl)ethyl)3(7(morpholin4yl)213benzoxadiazol4yl)thiourea
COC1=C(C=C(C=C1)CCNC(=S)NC2=CC=C(C3=NON=C23)N4CCOCC4)OC
InChI=1SC21H25N5O4Sc127176314(1318(17)282)782221(31)23154516(2019(15)24302520)2691129121026h3613H712H212H3(H2222331)
MFCD04137172
ZINC000016345429
ZINC16345429
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