Vitas-M small molecule compound
methyl 2-{[({5-[3-(dimethylamino)phenyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}-4-(2,5-dimethylphenyl)thiophene-3-carboxylate
Catalog ID
STK467603
SMILES COC(=O)c1c(scc1c1cc(C)ccc1C)NC(=O)CSc1nnc(n1CC)c1cccc(c1)N(C)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 C28H31N5O3S2 MW 549.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O3S2/c1-7-33-25(19-9-8-10-20(14-19)32(4)5)30-31-28(33)38-16-23(34)29-26-24(27(35)36-6)22(15-37-26)21-13-17(2)11-12-18(21)3/h8-15H,7,16H2,1-6H3,(H,29,34)InChIKey
WHKCHEPPCNBUAA-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C(=CS2)C3=C(C=CC(=C3)C)C)C(=O)OC)C4=CC(=CC=C4)N(C)C
InChI=1SC28H31N5O3S2c173325(19981020(1419)32(4)5)303128(33)381623(34)292624(27(35)366)22(153726)211317(2)111218(21)3h815H716H216H3(H2934)
methyl2((((5(3(dimethylamino)phenyl)4ethyl4H124triazol3yl)sulfanyl)acetyl)amino)4(25dimethylphenyl)thiophene3carboxylate
methyl2((2((5(3(dimethylamino)phenyl)4ethyl124triazol3yl)sulfanyl)acetyl)amino)4(25dimethylphenyl)thiophene3carboxylate
METHYL2(2(5(3(DIMETHYLAMINO)PHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETYLAMINO)4(25DIMETHYLPHENYL)THIOPHENE3CARBOXYLATE
MFCD06184454
ZINC000097948027
ZINC97948027
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