Vitas-M small molecule compound
N-{[5-({2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-4-ethyl-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Catalog ID
STK118557
SMILES N#Cc1c(NC(=O)CSc2nnc(n2CC)CNC(=O)c2cccc(c2)C)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 C24H26N6O2S2 MW 494.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N6O2S2/c1-3-30-20(13-26-22(32)16-8-6-7-15(2)11-16)28-29-24(30)33-14-21(31)27-23-18(12-25)17-9-4-5-10-19(17)34-23/h6-8,11H,3-5,9-10,13-14H2,1-2H3,(H,26,32)(H,27,31)InChIKey
UXIWDPKDAWTCRH-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)CNC(=O)C4=CC(=CC=C4)C
InChI=1SC24H26N6O2S2c133020(132622(32)1686715(2)1116)282924(30)331421(31)272318(1225)179451019(17)3423h6811H359101314H212H3(H2632)(H2731)
MFCD04128535
N((5((2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl)4ethyl4H124triazol3yl)methyl)3methylbenzamide
N((5(2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl4ethyl124triazol3yl)methyl)3methylbenzamide
ZINC000012629536
ZINC12629536
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