Vitas-M small molecule compound
ethyl 2-{[(1H-1,2,3-triazol-5-ylsulfanyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STL373732
SMILES CCOC(=O)c1c(NC(=O)CSc2cnn[nH]2)sc2c1CCCCC2
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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 C16H20N4O3S2 MW 380.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N4O3S2/c1-2-23-16(22)14-10-6-4-3-5-7-11(10)25-15(14)18-12(21)9-24-13-8-17-20-19-13/h8H,2-7,9H2,1H3,(H,18,21)(H,17,19,20)InChIKey
NBSBNUQMONQSQN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NNN=C3
CCOC(=O)c1c(NC(=O)CSc2cnn(nH)2)sc2c1CCCCC2
ethyl2(((1H123triazol5ylsulfanyl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2(2Htriazol4ylsulfanyl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC16H20N4O3S2c122316(22)14106435711(10)2515(14)1812(21)92413817201913h8H279H21H3(H1821)(H171920)
MFCD28165766
ZINC000098086769
ZINC98086769
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