Vitas-M small molecule compound
ethyl 2-{[({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK310692
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(o2)Cn2ccc(n2)C)sc2c1CCCCC2
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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 C21H25N5O4S2 MW 475.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O4S2/c1-3-29-20(28)18-14-7-5-4-6-8-15(14)32-19(18)22-16(27)12-31-21-24-23-17(30-21)11-26-10-9-13(2)25-26/h9-10H,3-8,11-12H2,1-2H3,(H,22,27)InChIKey
UZEKGMJCVXQQOI-UHFFFAOYSA-NSynonyms
1005691-08-61005691086
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(O3)CN4C=CC(=N4)C
ethyl2((((5((3methyl1Hpyrazol1yl)methyl)134oxadiazol2yl)sulfanyl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2((5((3methylpyrazol1yl)methyl)134oxadiazol2yl)sulfanyl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC21H25N5O4S2c132920(28)18147546815(14)3219(18)2216(27)123121242317(3021)112610913(2)2526h910H381112H212H3(H2227)
MFCD04054236
ZINC000002805602
ZINC02805602
ZINC2805602
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