Vitas-M small molecule compound
(2E)-3-(9-ethyl-9H-carbazol-3-yl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL049304
SMILES CCn1c2ccc(cc2c2c1cccc2)/C=C(\C(=O)[O-])/Sc1[nH]nc([nH+]1)C
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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 C20H18N4O2S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S/c1-3-24-16-7-5-4-6-14(16)15-10-13(8-9-17(15)24)11-18(19(25)26)27-20-21-12(2)22-23-20/h4-11H,3H2,1-2H3,(H,25,26)(H,21,22,23)/b18-11+InChIKey
QJWUADIYURQZNN-WOJGMQOQSA-NSynonyms
587009-61-8(2E)3(9ethyl9Hcarbazol3yl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(E)3(9ETHYLCARBAZOL3YL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
587009618
CCN1C2=C(C=C(C=C2)C=C(C(=O)O)SC3=NNC(=N3)C)C4=CC=CC=C41
CCn1c2ccc(cc2c2c1cccc2)C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
InChI=1SC20H18N4O2Sc132416754614(16)151013(8917(15)24)1118(19(25)26)27202112(2)222320h411H3H212H3(H2526)(H212223)b1811+
MFCD05725194
ZINC000002397871
ZINC2397871
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