Vitas-M small molecule compound
(2Z)-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzenesulfonate
Catalog ID
STK851078
SMILES Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)/C2=O
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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 C21H15NO5S MW 393.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15NO5S/c1-14-2-5-17(6-3-14)28(24,25)27-16-4-7-18-19(13-16)26-20(21(18)23)12-15-8-10-22-11-9-15/h2-13H,1H3/b20-12-InChIKey
QJXUPVDQFUVIIO-NDENLUEZSA-NSynonyms
896804-08-3((2Z)3OXO2(PYRIDIN4YLMETHYLIDENE)1BENZOFURAN6YL)4METHYLBENZENESULFONATE
(2Z)3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6yl4methylbenzenesulfonate
(Z)3oxo2(pyridin4ylmethylene)23dihydrobenzofuran6yl4methylbenzenesulfonate
3OXO2(4PYRIDYLMETHYLENE)BENZO(34B)FURAN6YL4METHYLBENZENESULFONATE
896804083
CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC=NC=C4)O3
Cc1ccc(cc1)S(=O)(=O)Oc1ccc2c(c1)OC(=Cc1ccncc1)C2=O
InChI=1SC21H15NO5Sc1142517(6314)28(2425)2716471819(1316)2620(21(18)23)12158102211915h213H1H3b2012
MFCD06593823
ZINC000005340714
ZINC05340714
ZINC5340714
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