Vitas-M small molecule compound
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-[1-(2,3-dimethylphenoxy)ethyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK473003
SMILES N#Cc1c(NC(=O)CSc2nnc(n2CC)C(Oc2cccc(c2C)C)C)sc2c1CCC(C2)C(C)(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 C29H37N5O2S2 MW 551.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37N5O2S2/c1-8-34-26(19(4)36-23-11-9-10-17(2)18(23)3)32-33-28(34)37-16-25(35)31-27-22(15-30)21-13-12-20(29(5,6)7)14-24(21)38-27/h9-11,19-20H,8,12-14,16H2,1-7H3,(H,31,35)InChIKey
LPXHBKNLMCFIHE-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)C(C)OC4=CC=CC(=C4C)C
InChI=1SC29H37N5O2S2c183426(19(4)36231191017(2)18(23)3)323328(34)371625(35)312722(1530)21131220(29(56)7)1424(21)3827h9111920H8121416H217H3(H3135)
MFCD07081442
N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)2((5(1(23dimethylphenoxy)ethyl)4ethyl124triazol3yl)sulfanyl)acetamide
N(6tertbutyl3cyano4567tetrahydro1benzothiophen2yl)2((5(1(23dimethylphenoxy)ethyl)4ethyl4H124triazol3yl)sulfanyl)acetamide
ZINC000097948084
ZINC000097948087
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