Vitas-M small molecule compound

ethyl 5-benzyl-2-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}thiophene-3-carboxylate

Catalog ID
STK457480
SMILES CCOC(=O)c1cc(sc1NC(=S)Nc1c(=O)n(n(c1C)C)c1ccccc1)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 C26H26N4O3S2 MW 506.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O3S2/c1-4-33-25(32)21-16-20(15-18-11-7-5-8-12-18)35-23(21)28-26(34)27-22-17(2)29(3)30(24(22)31)19-13-9-6-10-14-19/h5-14,16H,4,15H2,1-3H3,(H2,27,28,34)
InChIKey
TYCYOMSNSHIPMY-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C
ETHYL2((((23DIMETHYL5OXO1PHENYL(3PYRAZOLIN4YL))AMINO)THIOXOMETHYL)AMINO)5BENZYLTHIOPHENE3CARBOXYLATE
ethyl5benzyl2(((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)carbamothioyl)amino)thiophene3carboxylate
ETHYL5BENZYL2((15DIMETHYL3OXO2PHENYLPYRAZOL4YL)CARBAMOTHIOYLAMINO)THIOPHENE3CARBOXYLATE
InChI=1SC26H26N4O3S2c143325(32)211620(1518117581218)3523(21)2826(34)272217(2)29(3)30(24(22)31)191396101419h51416H415H213H3(H2272834)
MFCD05989720
ZINC000002853335
ZINC02853335
ZINC2853335

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Available files

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