Vitas-M small molecule compound
(4E)-4-{[(4-butylphenyl)amino]methylidene}-2-(1,1-dioxidotetrahydrothiophen-3-yl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK630507
SMILES CCCCc1ccc(cc1)N/C=C/1\C(=NN(C1=O)C1CCS(=O)(=O)C1)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 C19H25N3O3S MW 375.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25N3O3S/c1-3-4-5-15-6-8-16(9-7-15)20-12-18-14(2)21-22(19(18)23)17-10-11-26(24,25)13-17/h6-9,12,17,20H,3-5,10-11,13H2,1-2H3/b18-12+InChIKey
VXAKFQXHRIWWKO-LDADJPATSA-NSynonyms
(4E)4(((4butylphenyl)amino)methylidene)2(11dioxidotetrahydrothiophen3yl)5methyl24dihydro3Hpyrazol3one
(4E)4((4butylanilino)methylidene)2(11dioxothiolan3yl)5methylpyrazol3one
(E)4(((4butylphenyl)amino)methylene)1(11dioxidotetrahydrothiophen3yl)3methyl1Hpyrazol5(4H)one
CCCCC1=CC=C(C=C1)NC=C2C(=NN(C2=O)C3CCS(=O)(=O)C3)C
CCCCc1ccc(cc1)NC=C1C(=NN(C1=O)C1CCS(=O)(=O)C1)C
InChI=1SC19H25N3O3Sc1345156816(9715)20121814(2)2122(19(18)23)17101126(2425)1317h69121720H35101113H212H3b1812+
MFCD09792057
ZINC000009422202
ZINC000009422203
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