Vitas-M small molecule compound
ethyl 2-({[(3-ethyl-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STL084405
SMILES CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc([nH]c2c(=O)n1CC)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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c1-4-24-18(26)17-15(10-12(3)21-17)23-20(24)29-11-16(25)22-14-9-7-6-8-13(14)19(27)28-5-2/h6-10,21H,4-5,11H2,1-3H3,(H,22,25)InChIKey
UMLDYLLYMCIJFH-UHFFFAOYSA-NSynonyms
CCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC3=CC=CC=C3C(=O)OCC
CCOC(=O)c1ccccc1NC(=O)CSc1nc2cc((nH)c2c(=O)n1CC)C
ethyl2((((3ethyl6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
ethyl2((2((3ethyl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
InChI=1SC20H22N4O4Sc142418(26)1715(1012(3)2117)2320(24)291116(25)2214976813(14)19(27)2852h61021H4511H213H3(H2225)
MFCD18202975
ZINC000057521870
ZINC57521870
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