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}-3,4-dimethoxybenzamide
Catalog ID
STK118107
SMILES COc1cc(ccc1OC)C(=O)NCc1nnc(n1CC)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 C25H28N6O4S2 MW 540.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N6O4S2/c1-4-31-21(13-27-23(33)15-9-10-18(34-2)19(11-15)35-3)29-30-25(31)36-14-22(32)28-24-17(12-26)16-7-5-6-8-20(16)37-24/h9-11H,4-8,13-14H2,1-3H3,(H,27,33)(H,28,32)InChIKey
DFQKCYPHTUXYBR-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)CNC(=O)C4=CC(=C(C=C4)OC)OC
InChI=1SC25H28N6O4S2c143121(132723(33)1591018(342)19(1115)353)293025(31)361422(32)282417(1226)16756820(16)3724h911H481314H213H3(H2733)(H2832)
MFCD04128312
N((5((2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl)4ethyl4H124triazol3yl)methyl)34dimethoxybenzamide
N((5(2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl4ethyl124triazol3yl)methyl)34dimethoxybenzamide
ZINC000002843385
ZINC2843385
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