Vitas-M small molecule compound
2-{[3-(furan-2-ylmethyl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(4-methoxybenzyl)acetamide
Catalog ID
STL093318
SMILES COc1ccc(cc1)CNC(=O)CSc1nc2cc([nH]c2c(=O)n1Cc1ccco1)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 C22H22N4O4S MW 438.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O4S/c1-14-10-18-20(24-14)21(28)26(12-17-4-3-9-30-17)22(25-18)31-13-19(27)23-11-15-5-7-16(29-2)8-6-15/h3-10,24H,11-13H2,1-2H3,(H,23,27)InChIKey
ABTZZMUGEOPZPJ-UHFFFAOYSA-NSynonyms
2((3(furan2ylmethyl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(4methoxybenzyl)acetamide
2((3(furan2ylmethyl)6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N((4methoxyphenyl)methyl)acetamide
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NCC3=CC=C(C=C3)OC)CC4=CC=CO4
COc1ccc(cc1)CNC(=O)CSc1nc2cc((nH)c2c(=O)n1Cc1ccco1)C
InChI=1SC22H22N4O4Sc114101820(2414)21(28)26(12174393017)22(2518)311319(27)2311155716(292)8615h31024H1113H212H3(H2327)
MFCD18787452
ZINC000067236452
ZINC67236452
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