Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methyl-5-{[(1-methylnaphthalen-2-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Catalog ID
STK135591
SMILES N#Cc1c(NC(=O)CSc2nnc(n2C)COc2ccc3c(c2C)cccc3)sc2c1CCCC2
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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 C26H25N5O2S2 MW 503.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N5O2S2/c1-16-18-8-4-3-7-17(18)11-12-21(16)33-14-23-29-30-26(31(23)2)34-15-24(32)28-25-20(13-27)19-9-5-6-10-22(19)35-25/h3-4,7-8,11-12H,5-6,9-10,14-15H2,1-2H3,(H,28,32)InChIKey
GSXWQKIIZSOXMF-UHFFFAOYSA-NSynonyms
CC1=C(C=CC2=CC=CC=C12)OCC3=NN=C(N3C)SCC(=O)NC4=C(C5=C(S4)CCCC5)C#N
InChI=1SC26H25N5O2S2c11618843717(18)111221(16)331423293026(31(23)2)341524(32)282520(1327)199561022(19)3525h34781112H569101415H212H3(H2832)
MFCD04393364
N(3cyano4567tetrahydro1benzothiophen2yl)2((4methyl5(((1methylnaphthalen2yl)oxy)methyl)4H124triazol3yl)sulfanyl)acetamide
N(3cyano4567tetrahydro1benzothiophen2yl)2((4methyl5((1methylnaphthalen2yl)oxymethyl)124triazol3yl)sulfanyl)acetamide
ZINC000002860846
ZINC02860846
ZINC2860846
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