Vitas-M small molecule compound
N-(2-bromobenzyl)-2-[(3-butyl-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL093718
SMILES CCCCn1c(SCC(=O)NCc2ccccc2Br)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 C20H23BrN4O2S MW 463.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23BrN4O2S/c1-3-4-9-25-19(27)18-16(10-13(2)23-18)24-20(25)28-12-17(26)22-11-14-7-5-6-8-15(14)21/h5-8,10,23H,3-4,9,11-12H2,1-2H3,(H,22,26)InChIKey
HFNWBSWADRCSDX-UHFFFAOYSA-NSynonyms
CCCCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NCC3=CC=CC=C3Br
CCCCn1c(SCC(=O)NCc2ccccc2Br)nc2c(c1=O)(nH)c(c2)C
InChI=1SC20H23BrN4O2Sc13492519(27)1816(1013(2)2318)2420(25)281217(26)221114756815(14)21h581023H3491112H212H3(H2226)
MFCD18787852
N((2bromophenyl)methyl)2((3butyl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(2bromobenzyl)2((3butyl6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
ZINC000067238526
ZINC67238526
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