Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-[(4-ethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK143740
SMILES CCc1ccc(cc1)OCc1nnc(n1C)SCC(=O)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 C23H25N5O2S2 MW 467.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O2S2/c1-3-15-8-10-16(11-9-15)30-13-20-26-27-23(28(20)2)31-14-21(29)25-22-18(12-24)17-6-4-5-7-19(17)32-22/h8-11H,3-7,13-14H2,1-2H3,(H,25,29)InChIKey
KZUOJYPQEPKJII-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)OCC2=NN=C(N2C)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N
InChI=1SC23H25N5O2S2c131581016(11915)301320262723(28(20)2)311421(29)252218(1224)17645719(17)3222h811H371314H212H3(H2529)
MFCD04214073
N(3cyano4567tetrahydro1benzothiophen2yl)2((5((4ethylphenoxy)methyl)4methyl124triazol3yl)sulfanyl)acetamide
N(3cyano4567tetrahydro1benzothiophen2yl)2((5((4ethylphenoxy)methyl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000001128597
ZINC01128597
ZINC1128597
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