Vitas-M small molecule compound
ethyl 5-benzyl-2-{[(5-carbamoyl-1-ethyl-1H-pyrazol-4-yl)carbamothioyl]amino}thiophene-3-carboxylate
Catalog ID
STK457515
SMILES CCOC(=O)c1cc(sc1NC(=S)Nc1cnn(c1C(=O)N)CC)Cc1ccccc1
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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 C21H23N5O3S2 MW 457.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O3S2/c1-3-26-17(18(22)27)16(12-23-26)24-21(30)25-19-15(20(28)29-4-2)11-14(31-19)10-13-8-6-5-7-9-13/h5-9,11-12H,3-4,10H2,1-2H3,(H2,22,27)(H2,24,25,30)InChIKey
GIXYCHLSGBDXAC-UHFFFAOYSA-NSynonyms
CCN1C(=C(C=N1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OCC)C(=O)N
ETHYL2((((5CARBAMOYL1ETHYLPYRAZOL4YL)AMINO)THIOXOMETHYL)AMINO)5BENZYLTHIOPHENE3CARBOXYLATE
ethyl5benzyl2(((5carbamoyl1ethyl1Hpyrazol4yl)carbamothioyl)amino)thiophene3carboxylate
ETHYL5BENZYL2((5CARBAMOYL1ETHYLPYRAZOL4YL)CARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC21H23N5O3S2c132617(18(22)27)16(122326)2421(30)251915(20(28)2942)1114(3119)10138657913h591112H3410H212H3(H22227)(H2242530)
MFCD05107948
ZINC000002855567
ZINC02855567
ZINC2855567
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