Vitas-M small molecule compound
N-(4-ethylbenzyl)-2-{[6-methyl-3-(4-methylphenyl)-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL111521
SMILES CCc1ccc(cc1)CNC(=O)CSc1nc2cc([nH]c2c(=O)n1c1ccc(cc1)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 C25H26N4O2S MW 446.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O2S/c1-4-18-7-9-19(10-8-18)14-26-22(30)15-32-25-28-21-13-17(3)27-23(21)24(31)29(25)20-11-5-16(2)6-12-20/h5-13,27H,4,14-15H2,1-3H3,(H,26,30)InChIKey
XNOHKZVHZFGZHA-UHFFFAOYSA-NSynonyms
CCC1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(C(=O)N2C4=CC=C(C=C4)C)NC(=C3)C
CCc1ccc(cc1)CNC(=O)CSc1nc2cc((nH)c2c(=O)n1c1ccc(cc1)C)C
InChI=1SC25H26N4O2Sc14187919(10818)142622(30)15322528211317(3)2723(21)24(31)29(25)2011516(2)61220h51327H41415H213H3(H2630)
MFCD20746402
N((4ethylphenyl)methyl)2((6methyl3(4methylphenyl)4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(4ethylbenzyl)2((6methyl3(4methylphenyl)4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067319571
ZINC67319571
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