Vitas-M small molecule compound
N-(3-bromobenzyl)-2-[(3-ethyl-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL098988
SMILES CCn1c(SCC(=O)NCc2cccc(c2)Br)nc2c(c1=O)[nH]c(c2)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 C18H19BrN4O2S MW 435.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19BrN4O2S/c1-3-23-17(25)16-14(7-11(2)21-16)22-18(23)26-10-15(24)20-9-12-5-4-6-13(19)8-12/h4-8,21H,3,9-10H2,1-2H3,(H,20,24)InChIKey
VZZLPPPYRMYSRR-UHFFFAOYSA-NSynonyms
CCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NCC3=CC(=CC=C3)Br
CCn1c(SCC(=O)NCc2cccc(c2)Br)nc2c(c1=O)(nH)c(c2)C
InChI=1SC18H19BrN4O2Sc132317(25)1614(711(2)2116)2218(23)261015(24)2091254613(19)812h4821H3910H212H3(H2024)
MFCD18790220
N((3bromophenyl)methyl)2((3ethyl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(3bromobenzyl)2((3ethyl6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067299410
ZINC67299410
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