Vitas-M small molecule compound
ethyl 4-(2,5-dimethylphenyl)-6-({[5-(furan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Catalog ID
STK776048
SMILES CCOC(=O)C1=C(CSc2nnc(n2CC=C)c2ccco2)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 C25H27N5O4S MW 493.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O4S/c1-5-11-30-22(19-8-7-12-34-19)28-29-25(30)35-14-18-20(23(31)33-6-2)21(27-24(32)26-18)17-13-15(3)9-10-16(17)4/h5,7-10,12-13,21H,1,6,11,14H2,2-4H3,(H2,26,27,32)InChIKey
GSPIHNQLZQPHTI-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC(=O)NC1C2=C(C=CC(=C2)C)C)CSC3=NN=C(N3CC=C)C4=CC=CO4
ethyl4(25dimethylphenyl)6(((5(furan2yl)4(prop2en1yl)4H124triazol3yl)sulfanyl)methyl)2oxo1234tetrahydropyrimidine5carboxylate
ETHYL4(25DIMETHYLPHENYL)6((5(FURAN2YL)4PROP2ENYL124TRIAZOL3YL)SULFANYLMETHYL)2OXO34DIHYDRO1HPYRIMIDINE5CARBOXYLATE
InChI=1SC25H27N5O4Sc15113022(1987123419)282925(30)35141820(23(31)3362)21(2724(32)2618)171315(3)91016(17)4h5710121321H161114H224H3(H2262732)
MFCD05258431
ZINC000001422898
ZINC000001422899
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