Vitas-M small molecule compound
4-(1,3-benzothiazol-2-ylsulfanyl)but-2-yn-1-yl 2-oxo-2H-chromene-3-carboxylate
Catalog ID
STK273503
SMILES O=C(c1cc2ccccc2oc1=O)OCC#CCSc1nc2c(s1)cccc2
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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 C21H13NO4S2 MW 407.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13NO4S2/c23-19(15-13-14-7-1-3-9-17(14)26-20(15)24)25-11-5-6-12-27-21-22-16-8-2-4-10-18(16)28-21/h1-4,7-10,13H,11-12H2InChIKey
MZUOMRDTHPRPQY-UHFFFAOYSA-NSynonyms
4(13benzothiazol2ylsulfanyl)but2yn1yl2oxo2Hchromene3carboxylate
4(13benzothiazol2ylsulfanyl)but2ynyl2oxochromene3carboxylate
C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)OCC#CCSC3=NC4=CC=CC=C4S3
InChI=1SC21H13NO4S2c2319(151314713917(14)2620(15)24)25115612272122168241018(16)2821h1471013H1112H2
MFCD04226306
ZINC000009614771
ZINC09614771
ZINC9614771
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