Vitas-M small molecule compound
N-{2-[5-({2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}-2-fluorobenzamide
Catalog ID
STK186837
SMILES C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1CCNC(=O)c1ccccc1F
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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 C25H25FN6O2S2 MW 524.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN6O2S2/c1-2-13-32-21(11-12-28-23(34)17-8-3-5-9-19(17)26)30-31-25(32)35-15-22(33)29-24-18(14-27)16-7-4-6-10-20(16)36-24/h2-3,5,8-9H,1,4,6-7,10-13,15H2,(H,28,34)(H,29,33)InChIKey
RJJYZNWADANCLO-UHFFFAOYSA-NSynonyms
C=CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)CCNC(=O)C4=CC=CC=C4F
InChI=1SC25H25FN6O2S2c12133221(11122823(34)17835919(17)26)303125(32)351522(33)292418(1427)167461020(16)3624h23589H1467101315H2(H2834)(H2933)
MFCD06002435
N(2(5((2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl)4(prop2en1yl)4H124triazol3yl)ethyl)2fluorobenzamide
N(2(5(2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl4prop2enyl124triazol3yl)ethyl)2fluorobenzamide
ZINC000002871762
ZINC02871762
ZINC2871762
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