Vitas-M small molecule compound
(2E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-(phenylsulfonyl)prop-2-enenitrile
Catalog ID
STK445243
SMILES N#C/C(=C\c1cc2OCOc2cc1Cl)/S(=O)(=O)c1ccccc1
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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 C16H10ClNO4S MW 347.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10ClNO4S/c17-14-8-16-15(21-10-22-16)7-11(14)6-13(9-18)23(19,20)12-4-2-1-3-5-12/h1-8H,10H2/b13-6+InChIKey
SJIBTSBKMGYISC-AWNIVKPZSA-NSynonyms
(2E)3(6CHLORO(2HBENZO(D)13DIOXOLAN5YL))2(PHENYLSULFONYL)PROP2ENENITRILE
(2E)3(6chloro13benzodioxol5yl)2(phenylsulfonyl)prop2enenitrile
(E)2(BENZENESULFONYL)3(6CHLORO13BENZODIOXOL5YL)PROP2ENENITRILE
C1OC2=C(O1)C=C(C(=C2)C=C(C#N)S(=O)(=O)C3=CC=CC=C3)Cl
InChI=1SC16H10ClNO4Sc171481615(21102216)711(14)613(918)23(1920)124213512h18H10H2b136+
MFCD04057599
N#CC(=Cc1cc2OCOc2cc1Cl)S(=O)(=O)c1ccccc1
ZINC000000609432
ZINC00609432
ZINC609432
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