Vitas-M small molecule compound
ethyl 2-({(Z)-[1-(3-methylphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STL295667
SMILES CCOC(=O)c1c(N/C=C\2/C(=O)NC(=O)N(C2=O)c2cccc(c2)C)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 C23H23N3O5S MW 453.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O5S/c1-3-31-22(29)18-15-9-4-5-10-17(15)32-20(18)24-12-16-19(27)25-23(30)26(21(16)28)14-8-6-7-13(2)11-14/h6-8,11-12,24H,3-5,9-10H2,1-2H3,(H,25,27,30)/b16-12-InChIKey
TYSIHVAGESVBKJ-VBKFSLOCSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCC2)NC=C3C(=O)NC(=O)N(C3=O)C4=CC=CC(=C4)C
CCOC(=O)c1c(NC=C2C(=O)NC(=O)N(C2=O)c2cccc(c2)C)sc2c1CCCC2
ethyl2(((Z)(1(3methylphenyl)246trioxo13diazinan5ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
ethyl2(((Z)(1(3methylphenyl)246trioxotetrahydropyrimidin5(2H)ylidene)methyl)amino)4567tetrahydro1benzothiophene3carboxylate
InChI=1SC23H23N3O5Sc133122(29)18159451017(15)3220(18)24121619(27)2523(30)26(21(16)28)1486713(2)1114h68111224H35910H212H3(H252730)b1612
MFCD01052307
ZINC000000805212
ZINC00805212
ZINC805212
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