Vitas-M small molecule compound
(2E)-(5-bromo-1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]ethanoate
Catalog ID
STL055253
SMILES CCN1C(=O)/C(=C(\C(=O)[O-])/Sc2[nH]nc([nH+]2)C)/c2c1ccc(c2)Br
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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 C15H13BrN4O3S MW 409.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13BrN4O3S/c1-3-20-10-5-4-8(16)6-9(10)11(13(20)21)12(14(22)23)24-15-17-7(2)18-19-15/h4-6H,3H2,1-2H3,(H,22,23)(H,17,18,19)/b12-11+InChIKey
MQGBPTCRFPGDEO-VAWYXSNFSA-NSynonyms
676475-43-7(2E)(5bromo1ethyl2oxo12dihydro3Hindol3ylidene)((3methyl1H124triazol4ium5yl)sulfanyl)ethanoate
(2E)2(5BROMO1ETHYL2OXOINDOL3YLIDENE)2((5METHYL1H124TRIAZOL3YL)SULFANYL)ACETICACID
CCN1C(=O)C(=C(C(=O)(O))Sc2(nH)nc((nH+)2)C)c2c1ccc(c2)Br
CCN1C2=C(C=C(C=C2)Br)C(=C(C(=O)O)SC3=NNC(=N3)C)C1=O
InChI=1SC15H13BrN4O3Sc132010548(16)69(10)11(13(20)21)12(14(22)23)2415177(2)181915h46H3H212H3(H2223)(H171819)b1211+
MFCD05730123
ZINC20266091
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