Vitas-M small molecule compound
(2E)-3-(3-bromo-5-methoxy-4-propoxyphenyl)-2-(phenylsulfonyl)prop-2-enenitrile
Catalog ID
STK454848
SMILES CCCOc1c(Br)cc(cc1OC)/C=C(/S(=O)(=O)c1ccccc1)\C#N
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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 C19H18BrNO4S MW 436.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18BrNO4S/c1-3-9-25-19-17(20)11-14(12-18(19)24-2)10-16(13-21)26(22,23)15-7-5-4-6-8-15/h4-8,10-12H,3,9H2,1-2H3/b16-10+InChIKey
WCKGYBWUGLPKMF-MHWRWJLKSA-NSynonyms
(2E)3(3bromo5methoxy4propoxyphenyl)2(phenylsulfonyl)prop2enenitrile
(E)2(BENZENESULFONYL)3(3BROMO5METHOXY4PROPOXYPHENYL)PROP2ENENITRILE
CCCOC1=C(C=C(C=C1Br)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OC
CCCOc1c(Br)cc(cc1OC)C=C(S(=O)(=O)c1ccccc1)C#N
InChI=1SC19H18BrNO4Sc139251917(20)1114(1218(19)242)1016(1321)26(2223)157546815h481012H39H212H3b1610+
MFCD04220230
ZINC000002852873
ZINC02852873
ZINC2852873
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