Vitas-M small molecule compound
(E)-[2-(4-tert-butylphenyl)-4,5-dioxo-1-(pyridinium-3-ylmethyl)pyrrolidin-3-ylidene][4-(dimethylsulfamoyl)phenyl]methanolate
Catalog ID
STL044484
SMILES O=C1C(=O)/C(=C(\c2ccc(cc2)S(=O)(=O)N(C)C)/[O-])/C(N1Cc1ccc[nH+]c1)c1ccc(cc1)C(C)(C)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 C29H31N3O5S MW 533.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O5S/c1-29(2,3)22-12-8-20(9-13-22)25-24(27(34)28(35)32(25)18-19-7-6-16-30-17-19)26(33)21-10-14-23(15-11-21)38(36,37)31(4)5/h6-17,25,33H,18H2,1-5H3/b26-24+InChIKey
VMDKNQKCZFECLS-SHHOIMCASA-NSynonyms
371116-75-5(E)(2(4TERTBUTYLPHENYL)45DIOXO1(PYRIDIN1IUM3YLMETHYL)PYRROLIDIN3YLIDENE)(4(DIMETHYLSULFAMOYL)PHENYL)METHANOLATE
(E)(2(4tertbutylphenyl)45dioxo1(pyridinium3ylmethyl)pyrrolidin3ylidene)(4(dimethylsulfamoyl)phenyl)methanolate
371116755
4((E)(2(4TERTBUTYLPHENYL)45DIOXO1(PYRIDIN3YLMETHYL)PYRROLIDIN3YLIDENE)HYDROXYMETHYL)NNDIMETHYLBENZENESULFONAMIDE
CC(C)(C)C1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)S(=O)(=O)N(C)C)O)C(=O)C(=O)N2CC4=CN=CC=C4
InChI=1SC29H31N3O5Sc129(23)2212820(91322)2524(27(34)28(35)32(25)18197616301719)26(33)21101423(151121)38(3637)31(4)5h6172533H18H215H3b2624+
MFCD18248421
O=C1C(=O)C(=C(c2ccc(cc2)S(=O)(=O)N(C)C)(O))C(N1Cc1ccc(nH+)c1)c1ccc(cc1)C(C)(C)C
ZINC000102875736
ZINC000102875739
Check stock
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Check stock on Vitas-MAvailable files
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