Vitas-M small molecule compound
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-({5-[(2-methoxyphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK186622
SMILES COc1ccccc1OCc1nnc(n1c1ccccc1)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 C27H25N5O3S2 MW 531.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N5O3S2/c1-34-21-12-6-7-13-22(21)35-16-24-30-31-27(32(24)18-9-3-2-4-10-18)36-17-25(33)29-26-20(15-28)19-11-5-8-14-23(19)37-26/h2-4,6-7,9-10,12-13H,5,8,11,14,16-17H2,1H3,(H,29,33)InChIKey
MERNNTBPZPHZKJ-UHFFFAOYSA-NSynonyms
COC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C5=C(S4)CCCC5)C#N
InChI=1SC27H25N5O3S2c1342112671322(21)351624303127(32(24)1893241018)361725(33)292620(1528)1911581423(19)3726h24679101213H5811141617H21H3(H2933)
MFCD04402678
N(3cyano4567tetrahydro1benzothiophen2yl)2((5((2methoxyphenoxy)methyl)4phenyl124triazol3yl)sulfanyl)acetamide
N(3cyano4567tetrahydro1benzothiophen2yl)2((5((2methoxyphenoxy)methyl)4phenyl4H124triazol3yl)sulfanyl)acetamide
ZINC000002862266
ZINC2862266
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