Vitas-M small molecule compound
N-[3-carbamoyl-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1,3-benzodioxole-5-carboxamide
Catalog ID
STK427639
SMILES CCC(C1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1ccc2c(c1)OCO2)(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 C22H26N2O4S MW 414.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N2O4S/c1-4-22(2,3)13-6-7-14-17(10-13)29-21(18(14)19(23)25)24-20(26)12-5-8-15-16(9-12)28-11-27-15/h5,8-9,13H,4,6-7,10-11H2,1-3H3,(H2,23,25)(H,24,26)InChIKey
NZLWLSBDUBYXAE-UHFFFAOYSA-NSynonyms
CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC4=C(C=C3)OCO4
InChI=1SC22H26N2O4Sc1422(23)13671417(1013)2921(18(14)19(23)25)2420(26)12581516(912)28112715h58913H4671011H213H3(H22325)(H2426)
MFCD03375457
N(3carbamoyl6(2methylbutan2yl)4567tetrahydro1benzothiophen2yl)13benzodioxole5carboxamide
ZINC000002747365
ZINC000002747366
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