Vitas-M small molecule compound
ethyl 2-{[({5-[(2,3-dimethylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Catalog ID
STK480596
SMILES C=CCn1c(SCC(=O)Nc2sc3c(c2C(=O)OCC)CCCCC3)nnc1COc1cccc(c1C)C
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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 C28H34N4O4S2 MW 554.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N4O4S2/c1-5-15-32-23(16-36-21-13-10-11-18(3)19(21)4)30-31-28(32)37-17-24(33)29-26-25(27(34)35-6-2)20-12-8-7-9-14-22(20)38-26/h5,10-11,13H,1,6-9,12,14-17H2,2-4H3,(H,29,33)InChIKey
MSXFBRCZQXAVGN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CSC3=NN=C(N3CC=C)COC4=CC=CC(=C4C)C
ethyl2((((5((23dimethylphenoxy)methyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
ethyl2((2((5((23dimethylphenoxy)methyl)4prop2enyl124triazol3yl)sulfanyl)acetyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxylate
InChI=1SC28H34N4O4S2c15153223(16362113101118(3)19(21)4)303128(32)371724(33)292625(27(34)3562)20128791422(20)3826h5101113H169121417H224H3(H2933)
MFCD06074853
ZINC000097959324
ZINC97959324
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