Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(4-methoxybenzyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK197692
SMILES C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1Cc1ccc(cc1)OC
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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 C24H25N5O2S2 MW 479.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5O2S2/c1-3-12-29-21(13-16-8-10-17(31-2)11-9-16)27-28-24(29)32-15-22(30)26-23-19(14-25)18-6-4-5-7-20(18)33-23/h3,8-11H,1,4-7,12-13,15H2,2H3,(H,26,30)InChIKey
ICLKLSDQMNYSQC-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)CC2=NN=C(N2CC=C)SCC(=O)NC3=C(C4=C(S3)CCCC4)C#N
InChI=1SC24H25N5O2S2c13122921(131681017(312)11916)272824(29)321522(30)262319(1425)18645720(18)3323h3811H147121315H22H3(H2630)
MFCD04387874
N(3cyano4567tetrahydro1benzothiophen2yl)2((5((4methoxyphenyl)methyl)4prop2enyl124triazol3yl)sulfanyl)acetamide
N(3cyano4567tetrahydro1benzothiophen2yl)2((5(4methoxybenzyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetamide
ZINC000002850838
ZINC02850838
ZINC2850838
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