Vitas-M small molecule compound
N-benzyl-2-({[(4-ethyl-5-{[(furan-2-ylcarbonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK186629
SMILES CCn1c(SCC(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCCC3)nnc1CNC(=O)c1ccco1
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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 C28H30N6O4S2 MW 578.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N6O4S2/c1-2-34-22(16-30-25(36)20-12-8-14-38-20)32-33-28(34)39-17-23(35)31-27-24(19-11-6-7-13-21(19)40-27)26(37)29-15-18-9-4-3-5-10-18/h3-5,8-10,12,14H,2,6-7,11,13,15-17H2,1H3,(H,29,37)(H,30,36)(H,31,35)InChIKey
MSQATIAPYAQYMR-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4)CNC(=O)C5=CC=CO5
InChI=1SC28H30N6O4S2c123422(163025(36)20128143820)323328(34)391723(35)312724(1911671321(19)4027)26(37)29151894351018h358101214H26711131517H21H3(H2937)(H3036)(H3135)
MFCD04393238
N((5(2((3(benzylcarbamoyl)4567tetrahydro1benzothiophen2yl)amino)2oxoethyl)sulfanyl4ethyl124triazol3yl)methyl)furan2carboxamide
Nbenzyl2((((4ethyl5(((furan2ylcarbonyl)amino)methyl)4H124triazol3yl)sulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
ZINC000059608184
ZINC59608184
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