Vitas-M small molecule compound
ethyl 2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3,3,3-trifluoro-N-(phenylsulfonyl)alaninate
Catalog ID
STK761835
SMILES CCOC(=O)C(C(F)(F)F)(NS(=O)(=O)c1ccccc1)Nc1sc2c(c1C#N)CCCC2
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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 C20H20F3N3O4S2 MW 487.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20F3N3O4S2/c1-2-30-18(27)19(20(21,22)23,26-32(28,29)13-8-4-3-5-9-13)25-17-15(12-24)14-10-6-7-11-16(14)31-17/h3-5,8-9,25-26H,2,6-7,10-11H2,1H3InChIKey
VWDMSLUJCCPCRE-UHFFFAOYSA-NSynonyms
298683-85-9298683859
CCOC(=O)C(C(F)(F)F)(NC1=C(C2=C(S1)CCCC2)C#N)NS(=O)(=O)C3=CC=CC=C3
ethyl2((3cyano4567tetrahydro1benzothiophen2yl)amino)333trifluoroN(phenylsulfonyl)alaninate
ethyl2((3cyano4567tetrahydrobenzo(b)thiophen2yl)amino)333trifluoro2(phenylsulfonamido)propanoate
ethyl2(benzenesulfonamido)2((3cyano4567tetrahydro1benzothiophen2yl)amino)333trifluoropropanoate
InChI=1SC20H20F3N3O4S2c123018(27)19(20(2122)232632(2829)138435913)251715(1224)1410671116(14)3117h35892526H2671011H21H3
MFCD01859402
ZINC000002270499
ZINC000002270500
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