Vitas-M small molecule compound
N-benzyl-2-{[(4H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STL480883
SMILES O=C(Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2)CSc1nnc[nH]1
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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 C20H21N5O2S2 MW 427.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O2S2/c26-16(11-28-20-22-12-23-25-20)24-19-17(14-8-4-5-9-15(14)29-19)18(27)21-10-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2,(H,21,27)(H,24,26)(H,22,23,25)InChIKey
XWQLJNVRBNPMNR-UHFFFAOYSA-NSynonyms
C1CCC2=C(C1)C(=C(S2)NC(=O)CSC3=NC=NN3)C(=O)NCC4=CC=CC=C4
InChI=1SC20H21N5O2S2c2616(1128202212232520)241917(14845915(14)2919)18(27)2110136213713h136712H45811H2(H2127)(H2426)(H222325)
MFCD03998682
Nbenzyl2(((4H124triazol3ylsulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
Nbenzyl2((2(1H124triazol5ylsulfanyl)acetyl)amino)4567tetrahydro1benzothiophene3carboxamide
O=C(Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2)CSc1nnc(nH)1
ZINC000002838647
ZINC02838647
ZINC2838647
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