Vitas-M small molecule compound
{1,4-dioxo-3-[4-(3-phenylpropyl)pyridinium-1-yl]-1,4-dihydronaphthalen-2-yl}(thiophen-2-ylsulfonyl)azanide
Catalog ID
STL333503
SMILES O=C1C(=C([n+]2ccc(cc2)CCCc2ccccc2)C(=O)c2c1cccc2)[N-]S(=O)(=O)c1cccs1
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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 C28H22N2O4S2 MW 514.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N2O4S2/c31-27-22-12-4-5-13-23(22)28(32)26(25(27)29-36(33,34)24-14-7-19-35-24)30-17-15-21(16-18-30)11-6-10-20-8-2-1-3-9-20/h1-5,7-9,12-19H,6,10-11H2InChIKey
ZHELPITUSPZGGN-UHFFFAOYSA-NSynonyms
(14dioxo3(4(3phenylpropyl)pyridin1ium1yl)14dihydronaphthalen2yl)(thiophen2ylsulfonyl)amide
(14dioxo3(4(3phenylpropyl)pyridinium1yl)14dihydronaphthalen2yl)(thiophen2ylsulfonyl)azanide
(3Z)4KETO2(4(3PHENYLPROPYL)PYRIDIN1IUM1YL)3(2THIENYLSULFONYLIMINO)NAPHTHALEN1OLATE
(3Z)4OXIDANYLIDENE2(4(3PHENYLPROPYL)PYRIDIN1IUM1YL)3THIOPHEN2YLSULFONYLIMINONAPHTHALEN1OLATE
(3Z)4OXO2(4(3PHENYLPROPYL)1PYRIDIN1IUMYL)3THIOPHEN2YLSULFONYLIMINO1NAPHTHALENOLATE
(3Z)4OXO2(4(3PHENYLPROPYL)PYRIDIN1IUM1YL)3THIOPHEN2YLSULFONYLIMINONAPHTHALEN1OLATE
4OXO2(4(3PHENYLPROPYL)PYRIDIN1IUM1YL)3THIOPHEN2YLSULFONYLIMINONAPHTHALEN1OLATE
C1=CC=C(C=C1)CCCC2=CC=(N+)(C=C2)C3=C(C4=CC=CC=C4C(=O)C3=NS(=O)(=O)C5=CC=CS5)(O)
InChI=1SC28H22N2O4S2c31272212451323(22)28(32)26(25(27)2936(3334)24147193524)30171521(161830)11610208213920h15791219H61011H2
MFCD03288972
O=C1C(=C((n+)2ccc(cc2)CCCc2ccccc2)C(=O)c2c1cccc2)(N)S(=O)(=O)c1cccs1
ZINC000002329072
ZINC02329072
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