Vitas-M small molecule compound
ethyl 2-{[(5-carbamoyl-1-ethyl-1H-pyrazol-4-yl)carbamothioyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Catalog ID
STK456190
SMILES CCOC(=O)c1c(NC(=S)Nc2cnn(c2C(=O)N)CC)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 C20H27N5O3S2 MW 449.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5O3S2/c1-3-25-16(17(21)26)13(11-22-25)23-20(29)24-18-15(19(27)28-4-2)12-9-7-5-6-8-10-14(12)30-18/h11H,3-10H2,1-2H3,(H2,21,26)(H2,23,24,29)InChIKey
HWSPTOYRASZLFS-UHFFFAOYSA-NSynonyms
CCN1C(=C(C=N1)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OCC)C(=O)N
ethyl2(((5carbamoyl1ethyl1Hpyrazol4yl)carbamothioyl)amino)456789hexahydrocycloocta(b)thiophene3carboxylate
ethyl2((5carbamoyl1ethylpyrazol4yl)carbamothioylamino)456789hexahydrocycloocta(b)thiophene3carboxylate
InChI=1SC20H27N5O3S2c132516(17(21)26)13(112225)2320(29)241815(19(27)2842)12975681014(12)3018h11H310H212H3(H22126)(H2232429)
MFCD05058475
ZINC000002857136
ZINC02857136
ZINC2857136
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