Vitas-M small molecule compound
(4E)-2-(1,1-dioxidotetrahydrothiophen-3-yl)-4-{[(3-methoxyphenyl)amino]methylidene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK620205
SMILES COc1cccc(c1)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 C16H19N3O4S MW 349.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N3O4S/c1-11-15(9-17-12-4-3-5-14(8-12)23-2)16(20)19(18-11)13-6-7-24(21,22)10-13/h3-5,8-9,13,17H,6-7,10H2,1-2H3/b15-9+InChIKey
QUEHSCSKTAWFJV-OQLLNIDSSA-NSynonyms
(4E)2(11dioxidotetrahydrothiophen3yl)4(((3methoxyphenyl)amino)methylidene)5methyl24dihydro3Hpyrazol3one
(4E)2(11dioxothiolan3yl)4((3methoxyanilino)methylidene)5methylpyrazol3one
(E)1(11dioxidotetrahydrothiophen3yl)4(((3methoxyphenyl)amino)methylene)3methyl1Hpyrazol5(4H)one
CC1=NN(C(=O)C1=CNC2=CC(=CC=C2)OC)C3CCS(=O)(=O)C3
COc1cccc(c1)NC=C1C(=NN(C1=O)C1CCS(=O)(=O)C1)C
InChI=1SC16H19N3O4Sc11115(9171243514(812)232)16(20)19(1811)136724(2122)1013h35891317H6710H212H3b159+
MFCD09791731
ZINC000101477711
ZINC000101477713
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