Vitas-M small molecule compound
ethyl N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3,3,3-trifluoro-2-[(3-methylbutanoyl)amino]alaninate
Catalog ID
STK763456
SMILES CCOC(=O)C(C(F)(F)F)(Nc1sc2c(c1C#N)CCCCC2)NC(=O)CC(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 C20H26F3N3O3S MW 445.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26F3N3O3S/c1-4-29-18(28)19(20(21,22)23,25-16(27)10-12(2)3)26-17-14(11-24)13-8-6-5-7-9-15(13)30-17/h12,26H,4-10H2,1-3H3,(H,25,27)InChIKey
XWWUVRJPKBGJEJ-UHFFFAOYSA-NSynonyms
352317-38-5352317385
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCCC2)C#N)NC(=O)CC(C)C
ethyl2((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)333trifluoro2(3methylbutanamido)propanoate
ethyl2((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)333trifluoro2(3methylbutanoylamino)propanoate
ethylN(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)333trifluoro2((3methylbutanoyl)amino)alaninate
InChI=1SC20H26F3N3O3Sc142918(28)19(20(2122)232516(27)1012(2)3)261714(1124)138657915(13)3017h1226H410H213H3(H2527)
MFCD01942608
ZINC000003671824
ZINC000003671825
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