Vitas-M small molecule compound

2,2'-[1,4-diazepane-1,4-diylbis(sulfonylbenzene-4,1-diyl)]bis[1,5-dimethyl-4-(propan-2-yl)-1,2-dihydro-3H-pyrazol-3-one]

Catalog ID
STK272008
SMILES CC(c1c(C)n(n(c1=O)c1ccc(cc1)S(=O)(=O)N1CCCN(CC1)S(=O)(=O)c1ccc(cc1)n1c(=O)c(c(n1C)C)C(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 C33H44N6O6S2 MW 684.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H44N6O6S2/c1-22(2)30-24(5)34(7)38(32(30)40)26-10-14-28(15-11-26)46(42,43)36-18-9-19-37(21-20-36)47(44,45)29-16-12-27(13-17-29)39-33(41)31(23(3)4)25(6)35(39)8/h10-17,22-23H,9,18-21H2,1-8H3
InChIKey
CBOBVZXJGKJRTN-UHFFFAOYSA-N
Synonyms

2(4((4(4(23DIMETHYL5OXO4PROPAN2YLPYRAZOL1YL)PHENYL)SULFONYL14DIAZEPAN1YL)SULFONYL)PHENYL)15DIMETHYL4PROPAN2YLPYRAZOL3ONE
22(14diazepane14diylbis(sulfonylbenzene41diyl))bis(15dimethyl4(propan2yl)12dihydro3Hpyrazol3one)
CC1=C(C(=O)N(N1C)C2=CC=C(C=C2)S(=O)(=O)N3CCCN(CC3)S(=O)(=O)C4=CC=C(C=C4)N5C(=O)C(=C(N5C)C)C(C)C)C(C)C
InChI=1SC33H44N6O6S2c122(2)3024(5)34(7)38(32(30)40)26101428(151126)46(4243)361891937(212036)47(4445)29161227(131729)3933(41)31(23(3)4)25(6)35(39)8h10172223H91821H218H3
MFCD07658229
ZINC000098009011
ZINC98009011

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Available files

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