Vitas-M small molecule compound
ethyl 6-oxo-6-(2-oxo-5-{[(6-phenyl-1,2,4-triazin-3-yl)sulfanyl]methyl}-2,3-dihydro-1H-imidazol-4-yl)hexanoate
Catalog ID
STK222830
SMILES CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1ncc(nn1)c1ccccc1
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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 C21H23N5O4S MW 441.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O4S/c1-2-30-18(28)11-7-6-10-17(27)19-16(23-20(29)24-19)13-31-21-22-12-15(25-26-21)14-8-4-3-5-9-14/h3-5,8-9,12H,2,6-7,10-11,13H2,1H3,(H2,23,24,29)InChIKey
LMVSLOYMGHZKPV-UHFFFAOYSA-NSynonyms
CCOC(=O)CCCCC(=O)c1(nH)c(=O)(nH)c1CSc1ncc(nn1)c1ccccc1
CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC=C(N=N2)C3=CC=CC=C3
ETHYL6OXO6(2OXO5(((6PHENYL124TRIAZIN3YL)SULFANYL)METHYL)23DIHYDRO1HIMIDAZOL4YL)HEXANOATE
ethyl6oxo6(2oxo5((6phenyl124triazin3yl)sulfanylmethyl)13dihydroimidazol4yl)hexanoate
InChI=1SC21H23N5O4Sc123018(28)11761017(27)1916(2320(29)2419)133121221215(252621)148435914h358912H267101113H21H3(H2232429)
MFCD07130205
ZINC000010060478
ZINC10060478
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