Vitas-M small molecule compound
methyl 2-({[4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK959373
SMILES COC(=O)c1c(NC(=O)c2ccc(cc2)N2C(=O)C=CC2=O)sc2c1CCCC2
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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 C21H18N2O5S MW 410.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S/c1-28-21(27)18-14-4-2-3-5-15(14)29-20(18)22-19(26)12-6-8-13(9-7-12)23-16(24)10-11-17(23)25/h6-11H,2-5H2,1H3,(H,22,26)InChIKey
NTJQPYHWACEZQO-UHFFFAOYSA-NSynonyms
438531-87-4438531874
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)N4C(=O)C=CC4=O
InChI=1SC21H18N2O5Sc12821(27)1814423515(14)2920(18)2219(26)126813(9712)2316(24)101117(23)25h611H25H21H3(H2226)
methyl2(((4(25dioxo25dihydro1Hpyrrol1yl)phenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((4(25dioxopyrrol1yl)benzoyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD02056165
ZINC000002756426
ZINC02756426
ZINC2756426
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