Vitas-M small molecule compound
ethyl 2-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK456169
SMILES CCOC(=O)c1c(NC(=S)Nc2c(=O)n(n(c2C)C)c2ccccc2)sc2c1CCCCCC2
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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 C25H30N4O3S2 MW 498.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O3S2/c1-4-32-24(31)20-18-14-10-5-6-11-15-19(18)34-22(20)27-25(33)26-21-16(2)28(3)29(23(21)30)17-12-8-7-9-13-17/h7-9,12-13H,4-6,10-11,14-15H2,1-3H3,(H2,26,27,33)InChIKey
XJYYEXRADWCJRX-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCCC2)NC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C
ethyl2(((15dimethyl3oxo2phenyl23dihydro1Hpyrazol4yl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((15dimethyl3oxo2phenylpyrazol4yl)carbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC25H30N4O3S2c143224(31)2018141056111519(18)3422(20)2725(33)262116(2)28(3)29(23(21)30)17128791317h791213H4610111415H213H3(H2262733)
MFCD04137495
ZINC000002853633
ZINC02853633
ZINC2853633
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