Vitas-M small molecule compound
methyl 2-{[(4-bromo-2-ethylphenyl)carbamothioyl]amino}-5-methyl-4-phenylthiophene-3-carboxylate
Catalog ID
STK456843
SMILES COC(=O)c1c(NC(=S)Nc2ccc(cc2CC)Br)sc(c1c1ccccc1)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 C22H21BrN2O2S2 MW 489.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN2O2S2/c1-4-14-12-16(23)10-11-17(14)24-22(28)25-20-19(21(26)27-3)18(13(2)29-20)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3,(H2,24,25,28)InChIKey
ZOURBIKHJTWFQN-UHFFFAOYSA-NSynonyms
CCC1=C(C=CC(=C1)Br)NC(=S)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC
InChI=1SC22H21BrN2O2S2c14141216(23)101117(14)2422(28)252019(21(26)273)18(13(2)2920)158657915h512H4H213H3(H2242528)
METHYL2((((4BROMO2ETHYLPHENYL)AMINO)THIOXOMETHYL)AMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
methyl2(((4bromo2ethylphenyl)carbamothioyl)amino)5methyl4phenylthiophene3carboxylate
METHYL2((4BROMO2ETHYLPHENYL)CARBAMOTHIOYLAMINO)5METHYL4PHENYLTHIOPHENE3CARBOXYLATE
MFCD04220272
ZINC000002853390
ZINC02853390
ZINC2853390
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