Vitas-M small molecule compound
(2Z)-4-methyl-3-oxo-2-(pyridin-4-ylmethylidene)-2,3-dihydro-1-benzofuran-6-yl 4-chlorobenzenesulfonate
Catalog ID
STK853595
SMILES Clc1ccc(cc1)S(=O)(=O)Oc1cc2O/C(=C\c3ccncc3)/C(=O)c2c(c1)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 C21H14ClNO5S MW 427.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14ClNO5S/c1-13-10-16(28-29(25,26)17-4-2-15(22)3-5-17)12-18-20(13)21(24)19(27-18)11-14-6-8-23-9-7-14/h2-12H,1H3/b19-11-InChIKey
PQIFIOMIDFSHIQ-ODLFYWEKSA-NSynonyms
903191-19-5((2Z)4methyl3oxo2(pyridin4ylmethylidene)1benzofuran6yl)4chlorobenzenesulfonate
(2Z)4methyl3oxo2(pyridin4ylmethylidene)23dihydro1benzofuran6yl4chlorobenzenesulfonate
(Z)4methyl3oxo2(pyridin4ylmethylene)23dihydrobenzofuran6yl4chlorobenzenesulfonate
4METHYL3OXO2(4PYRIDYLMETHYLENE)BENZO(34B)FURAN6YL4CHLOROBENZENESULFONATE
903191195
CC1=CC(=CC2=C1C(=O)C(=CC3=CC=NC=C3)O2)OS(=O)(=O)C4=CC=C(C=C4)Cl
Clc1ccc(cc1)S(=O)(=O)Oc1cc2OC(=Cc3ccncc3)C(=O)c2c(c1)C
InChI=1SC21H14ClNO5Sc1131016(2829(2526)174215(22)3517)121820(13)21(24)19(2718)111468239714h212H1H3b1911
MFCD08290708
ZINC000009410641
ZINC09410641
ZINC9410641
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