Vitas-M small molecule compound
N-(4-ethylbenzyl)-2-{[6-methyl-4-oxo-3-(propan-2-yl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL098997
SMILES CCc1ccc(cc1)CNC(=O)CSc1nc2cc([nH]c2c(=O)n1C(C)C)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 C21H26N4O2S MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O2S/c1-5-15-6-8-16(9-7-15)11-22-18(26)12-28-21-24-17-10-14(4)23-19(17)20(27)25(21)13(2)3/h6-10,13,23H,5,11-12H2,1-4H3,(H,22,26)InChIKey
UPROZOMHRYZASU-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=O)N2C(C)C)NC(=C3)C
CCc1ccc(cc1)CNC(=O)CSc1nc2cc((nH)c2c(=O)n1C(C)C)C
InChI=1SC21H26N4O2Sc15156816(9715)112218(26)12282124171014(4)2319(17)20(27)25(21)13(2)3h6101323H51112H214H3(H2226)
MFCD18790229
N((4ethylphenyl)methyl)2((6methyl4oxo3propan2yl5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(4ethylbenzyl)2((6methyl4oxo3(propan2yl)45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067299462
ZINC67299462
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