Vitas-M small molecule compound
methyl (4Z)-1-(3,4-dimethylphenyl)-2-methyl-5-oxo-4-[(5-{[(phenylsulfonyl)amino]methyl}furan-2-yl)methylidene]-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK165161
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(o1)CNS(=O)(=O)c1ccccc1)c1ccc(c(c1)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 C27H26N2O6S MW 506.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O6S/c1-17-10-11-20(14-18(17)2)29-19(3)25(27(31)34-4)24(26(29)30)15-21-12-13-22(35-21)16-28-36(32,33)23-8-6-5-7-9-23/h5-15,28H,16H2,1-4H3/b24-15-InChIKey
HBXUSVIJCDIDHK-IWIPYMOSSA-NSynonyms
CC1=C(C=C(C=C1)N2C(=C(C(=CC3=CC=C(O3)CNS(=O)(=O)C4=CC=CC=C4)C2=O)C(=O)OC)C)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(o1)CNS(=O)(=O)c1ccccc1)c1ccc(c(c1)C)C
InChI=1SC27H26N2O6Sc117101120(1418(17)2)2919(3)25(27(31)344)24(26(29)30)1521121322(3521)162836(3233)238657923h51528H16H214H3b2415
METHYL(4Z)1(34DIMETHYLPHENYL)2METHYL5OXO4((5(((PHENYLSULFONYL)AMINO)METHYL)FURAN2YL)METHYLIDENE)45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((5(BENZENESULFONAMIDOMETHYL)FURAN2YL)METHYLIDENE)1(34DIMETHYLPHENYL)2METHYL5OXOPYRROLE3CARBOXYLATE
MFCD08679485
ZINC000000658238
ZINC00658238
ZINC658238
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