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}furan-2-carboxamide
Catalog ID
STK139637
SMILES N#Cc1c(NC(=O)CSc2nnc(n2CC)CNC(=O)c2ccco2)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 C21H22N6O3S2 MW 470.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O3S2/c1-2-27-17(11-23-19(29)15-7-5-9-30-15)25-26-21(27)31-12-18(28)24-20-14(10-22)13-6-3-4-8-16(13)32-20/h5,7,9H,2-4,6,8,11-12H2,1H3,(H,23,29)(H,24,28)InChIKey
UTPKYKIESIYSTF-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)CNC(=O)C4=CC=CO4
InChI=1SC21H22N6O3S2c122717(112319(29)157593015)252621(27)311218(28)242014(1022)13634816(13)3220h579H24681112H21H3(H2329)(H2428)
MFCD04404486
N((5((2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl)4ethyl4H124triazol3yl)methyl)furan2carboxamide
N((5(2((3cyano4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl4ethyl124triazol3yl)methyl)furan2carboxamide
ZINC000008442075
ZINC08442075
ZINC8442075
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