Vitas-M small molecule compound
1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]thiourea
Catalog ID
STL169299
SMILES CCNC(=S)N(C1CC(=O)N(C1=O)c1ccc(cc1)OC)Cc1ccc2c(c1)OCO2
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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 C22H23N3O5S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O5S/c1-3-23-22(31)24(12-14-4-9-18-19(10-14)30-13-29-18)17-11-20(26)25(21(17)27)15-5-7-16(28-2)8-6-15/h4-10,17H,3,11-13H2,1-2H3,(H,23,31)InChIKey
VVUUASINWDTKDF-UHFFFAOYSA-NSynonyms
471260-63-61(13benzodioxol5ylmethyl)3ethyl1(1(4methoxyphenyl)25dioxopyrrolidin3yl)thiourea
471260636
CCNC(=S)N(CC1=CC2=C(C=C1)OCO2)C3CC(=O)N(C3=O)C4=CC=C(C=C4)OC
InChI=1SC22H23N3O5Sc132322(31)24(1214491819(1014)30132918)171120(26)25(21(17)27)155716(282)8615h41017H31113H212H3(H2331)
MFCD01629195
N(13BENZODIOXOL5YLMETHYL)NETHYLN(1(4METHOXYPHENYL)25DIOXO3PYRROLIDINYL)THIOUREA
ZINC000017751807
ZINC000100578120
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