Vitas-M small molecule compound
ethyl 2-{[({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK305155
SMILES CCOC(=O)c1c(NC(=O)CSc2nnc(n2CC2CCCO2)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 C26H34N6O4S2 MW 558.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N6O4S2/c1-3-35-25(34)23-19-9-5-4-6-10-20(19)38-24(23)27-22(33)16-37-26-29-28-21(15-31-12-11-17(2)30-31)32(26)14-18-8-7-13-36-18/h11-12,18H,3-10,13-16H2,1-2H3,(H,27,33)InChIKey
RFQLBVVRXZHGMX-UHFFFAOYSA-NSynonyms
1005606-80-31005606803
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(N3CC4CCCO4)CN5C=CC(=N5)C
ethyl2((((5((3methyl1Hpyrazol1yl)methyl)4(tetrahydrofuran2ylmethyl)4H124triazol3yl)sulfanyl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2((5((3methylpyrazol1yl)methyl)4(oxolan2ylmethyl)124triazol3yl)sulfanyl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC26H34N6O4S2c133525(34)231995461020(19)3824(23)2722(33)163726292821(1531121117(2)3031)32(26)141887133618h111218H3101316H212H3(H2733)
MFCD04049355
ZINC000097948238
ZINC000097948239
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