Vitas-M small molecule compound
ethyl 5-({[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}methyl)-1,2-oxazole-3-carboxylate
Catalog ID
STK497076
SMILES CCOC(=O)c1noc(c1)CSc1nc2c(n1c1ccc(cc1)C)nc[nH]c2=O
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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 C19H17N5O4S MW 411.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N5O4S/c1-3-27-18(26)14-8-13(28-23-14)9-29-19-22-15-16(20-10-21-17(15)25)24(19)12-6-4-11(2)5-7-12/h4-8,10H,3,9H2,1-2H3,(H,20,21,25)InChIKey
LFJKWZDYKUQLOR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=NOC(=C1)CSC2=NC3=C(N2C4=CC=C(C=C4)C)NC=NC3=O
CCOC(=O)c1noc(c1)CSc1nc2c(n1c1ccc(cc1)C)nc(nH)c2=O
ethyl5(((9(4methylphenyl)6oxo69dihydro1Hpurin8yl)sulfanyl)methyl)12oxazole3carboxylate
ethyl5((9(4methylphenyl)6oxo3Hpurin8yl)sulfanylmethyl)12oxazole3carboxylate
ETHYL5((9(4METHYLPHENYL)6OXOHYDROPURIN8YLTHIO)METHYL)ISOXAZOLE3CARBOXYLATE
InChI=1SC19H17N5O4Sc132718(26)14813(282314)92919221516(20102117(15)25)24(19)126411(2)5712h4810H39H212H3(H202125)
MFCD09788472
ZINC000012410854
ZINC12410854
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