Vitas-M small molecule compound

(2E)-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl](2-oxo-1,2-dihydro-3H-indol-3-ylidene)ethanoate

Catalog ID
STL050827
SMILES [O-]C(=O)/C(=C/1\C(=O)Nc2c1cccc2)/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 C13H10N4O3S MW 302.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10N4O3S/c1-6-14-13(17-16-6)21-10(12(19)20)9-7-4-2-3-5-8(7)15-11(9)18/h2-5H,1H3,(H,15,18)(H,19,20)(H,14,16,17)/b10-9+
InChIKey
XPLCDVKIHKHMRQ-MDZDMXLPSA-N
Synonyms
676459-30-6
(2E)((3methyl1H124triazol4ium5yl)sulfanyl)(2oxo12dihydro3Hindol3ylidene)ethanoate
(2E)2((5METHYL1H124TRIAZOL3YL)SULFANYL)2(2OXIDANYLIDENE1HINDOL3YLIDENE)ETHANOICACID
(2E)2((5METHYL1H124TRIAZOL3YL)SULFANYL)2(2OXO1HINDOL3YLIDENE)ACETICACID
(2E)2((5METHYL1H124TRIAZOL3YL)THIO)2(2OXO1HINDOL3YLIDENE)ACETICACID
(2E)2(2KETOINDOLIN3YLIDENE)2((5METHYL1H124TRIAZOL3YL)THIO)ACETICACID
(5METHYL4H(124)TRIAZOL3YLSULFANYL)(2OXO12DIHYDROINDOL(3E)YLIDENE)ACETICACID
(O)C(=O)C(=C1C(=O)Nc2c1cccc2)Sc1(nH)nc((nH+)1)C
676459306
CC1=NC(=NN1)SC(=C2C3=CC=CC=C3NC2=O)C(=O)O
InChI=1SC13H10N4O3Sc161413(17166)2110(12(19)20)9742358(7)1511(9)18h25H1H3(H1518)(H1920)(H141617)b109+
MFCD05735589
ZINC000001275400
ZINC1275400

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.