Vitas-M small molecule compound
ethyl 2-({[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]acetyl}amino)-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL252714
SMILES CCOC(=O)c1c(NC(=O)CSc2[nH]nc(n2)N)sc2c1CCC(C2)CC
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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 C17H23N5O3S2 MW 409.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H23N5O3S2/c1-3-9-5-6-10-11(7-9)27-14(13(10)15(24)25-4-2)19-12(23)8-26-17-20-16(18)21-22-17/h9H,3-8H2,1-2H3,(H,19,23)(H3,18,20,21,22)InChIKey
XJGVJQYGJMFNMM-UHFFFAOYSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=O)CSC3=NNC(=N3)N
CCOC(=O)c1c(NC(=O)CSc2(nH)nc(n2)N)sc2c1CCC(C2)CC
ethyl2((((3amino1H124triazol5yl)sulfanyl)acetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
ethyl2((2((5amino1H124triazol3yl)sulfanyl)acetyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxylate
InChI=1SC17H23N5O3S2c139561011(79)2714(13(10)15(24)2542)1912(23)826172016(18)212217h9H38H212H3(H1923)(H318202122)
MFCD24850994
ZINC000080338739
ZINC000080338742
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