Vitas-M small molecule compound
propan-2-yl 5-(dimethylcarbamoyl)-4-methyl-2-[(tricyclo[3.3.1.1~3,7~]dec-1-ylcarbamoyl)amino]thiophene-3-carboxylate
Catalog ID
STK452634
SMILES O=C(NC12CC3CC(C2)CC(C1)C3)Nc1sc(c(c1C(=O)OC(C)C)C)C(=O)N(C)C
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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 C23H33N3O4S MW 447.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H33N3O4S/c1-12(2)30-21(28)17-13(3)18(20(27)26(4)5)31-19(17)24-22(29)25-23-9-14-6-15(10-23)8-16(7-14)11-23/h12,14-16H,6-11H2,1-5H3,(H2,24,25,29)InChIKey
UVYUPYAKWOSBFF-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)NC23CC4CC(C2)CC(C4)C3)C(=O)N(C)C
InChI=1SC23H33N3O4Sc112(2)3021(28)1713(3)18(20(27)26(4)5)3119(17)2422(29)2523914615(1023)816(714)1123h121416H611H215H3(H2242529)
METHYLETHYL2((NADAMANTANYLCARBAMOYL)AMINO)5(NNDIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD02606256
propan2yl2(1adamantylcarbamoylamino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
propan2yl5(dimethylcarbamoyl)4methyl2((tricyclo(3311~37~)dec1ylcarbamoyl)amino)thiophene3carboxylate
ZINC000019646479
ZINC19646479
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