Vitas-M small molecule compound

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK114549
SMILES COc1ccc(cc1)c1nnc(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 C21H21N5O2S2 MW 439.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S2/c1-26-19(13-7-9-14(28-2)10-8-13)24-25-21(26)29-12-18(27)23-20-16(11-22)15-5-3-4-6-17(15)30-20/h7-10H,3-6,12H2,1-2H3,(H,23,27)
InChIKey
YDVZJQCIVODKBD-UHFFFAOYSA-N
Synonyms

CN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C4=CC=C(C=C4)OC
InChI=1SC21H21N5O2S2c12619(137914(282)10813)242521(26)291218(27)232016(1122)15534617(15)3020h710H3612H212H3(H2327)
MFCD04127948
N(3cyano4567tetrahydro1benzothiophen2yl)2((5(4methoxyphenyl)4methyl124triazol3yl)sulfanyl)acetamide
N(3cyano4567tetrahydro1benzothiophen2yl)2((5(4methoxyphenyl)4methyl4H124triazol3yl)sulfanyl)acetamide
ZINC000009304980
ZINC09304980
ZINC9304980

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Available files

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