Vitas-M small molecule compound
ethyl 4-(2,5-dimethylphenyl)-6-{[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK776046
SMILES CCOC(=O)C1=C(CSc2nnc3c(n2)n(C)c2c3cccc2)NC(=O)NC1c1cc(C)ccc1C
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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 C26H26N6O3S MW 502.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N6O3S/c1-5-35-24(33)20-18(27-25(34)28-21(20)17-12-14(2)10-11-15(17)3)13-36-26-29-23-22(30-31-26)16-8-6-7-9-19(16)32(23)4/h6-12,21H,5,13H2,1-4H3,(H2,27,28,34)InChIKey
FVOURCLNCYNBEW-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CSC3=NC4=C(C5=CC=CC=C5N4C)N=N3
ethyl4(25dimethylphenyl)6(((5methyl5H(124)triazino(56b)indol3yl)sulfanyl)methyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL4(25DIMETHYLPHENYL)6((5METHYL(124)TRIAZINO(56B)INDOL3YL)SULFANYLMETHYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC26H26N6O3Sc153524(33)2018(2725(34)2821(20)171214(2)101115(17)3)133626292322(303126)16867919(16)32(23)4h61221H513H214H3(H2272834)
MFCD05258426
ZINC000001422890
ZINC000001422891
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