Vitas-M small molecule compound
2-[(3-butyl-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(2-fluorobenzyl)acetamide
Catalog ID
STL099003
SMILES CCCCn1c(SCC(=O)NCc2ccccc2F)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 C20H23FN4O2S MW 402.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23FN4O2S/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
ZRUJJORTWQGHJE-UHFFFAOYSA-NSynonyms
2((3butyl6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(2fluorobenzyl)acetamide
2((3butyl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N((2fluorophenyl)methyl)acetamide
CCCCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NCC3=CC=CC=C3F
CCCCn1c(SCC(=O)NCc2ccccc2F)nc2c(c1=O)(nH)c(c2)C
InChI=1SC20H23FN4O2Sc13492519(27)1816(1013(2)2318)2420(25)281217(26)221114756815(14)21h581023H3491112H212H3(H2226)
MFCD18790235
ZINC000067299507
ZINC67299507
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