Vitas-M small molecule compound
N-(3-methylphenyl)-2-{4-[4-(methylsulfanyl)phenyl]-2,5-dioxo-3,4,5,7-tetrahydrofuro[3,4-d]pyrimidin-1(2H)-yl}acetamide
Catalog ID
STL128503
SMILES CSc1ccc(cc1)C1NC(=O)N(C2=C1C(=O)OC2)CC(=O)Nc1cccc(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 C22H21N3O4S MW 423.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4S/c1-13-4-3-5-15(10-13)23-18(26)11-25-17-12-29-21(27)19(17)20(24-22(25)28)14-6-8-16(30-2)9-7-14/h3-10,20H,11-12H2,1-2H3,(H,23,26)(H,24,28)InChIKey
OTRNSSDJIFODQM-UHFFFAOYSA-NSynonyms
CC1=CC(=CC=C1)NC(=O)CN2C3=C(C(NC2=O)C4=CC=C(C=C4)SC)C(=O)OC3
InChI=1SC22H21N3O4Sc11343515(1013)2318(26)112517122921(27)19(17)20(2422(25)28)146816(302)9714h31020H1112H212H3(H2326)(H2428)
MFCD20742127
N(3methylphenyl)2(4(4(methylsulfanyl)phenyl)25dioxo3457tetrahydrofuro(34d)pyrimidin1(2H)yl)acetamide
N(3methylphenyl)2(4(4methylsulfanylphenyl)25dioxo47dihydro3Hfuro(34d)pyrimidin1yl)acetamide
ZINC000067288935
ZINC000067288939
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