Vitas-M small molecule compound
3-{2-[3-(pyridin-4-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]ethyl}-1H-indole-2-carboxylic acid
Catalog ID
STK335789
SMILES Sc1nnc(n1CCc1c([nH]c2c1cccc2)C(=O)O)c1ccncc1
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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 C18H15N5O2S MW 365.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N5O2S/c24-17(25)15-13(12-3-1-2-4-14(12)20-15)7-10-23-16(21-22-18(23)26)11-5-8-19-9-6-11/h1-6,8-9,20H,7,10H2,(H,22,26)(H,24,25)InChIKey
MLPFUIKXQGLNCX-UHFFFAOYSA-NSynonyms
3(2(3(pyridin4yl)5sulfanyl4H124triazol4yl)ethyl)1Hindole2carboxylicacid
3(2(3PYRIDIN4YL5SULFANYLIDENE1H124TRIAZOL4YL)ETHYL)1HINDOLE2CARBOXYLICACID
C1=CC=C2C(=C1)C(=C(N2)C(=O)O)CCN3C(=NNC3=S)C4=CC=NC=C4
InChI=1SC18H15N5O2Sc2417(25)1513(12312414(12)2015)7102316(212218(23)26)1158199611h168920H710H2(H2226)(H2425)
MFCD05855477
Sc1nnc(n1CCc1c((nH)c2c1cccc2)C(=O)O)c1ccncc1
ZINC000006062550
ZINC6062550
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