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-(3,4-dimethylbenzyl)acetamide
Catalog ID
STL099005
SMILES CCCCn1c(SCC(=O)NCc2ccc(c(c2)C)C)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 C22H28N4O2S MW 412.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O2S/c1-5-6-9-26-21(28)20-18(11-16(4)24-20)25-22(26)29-13-19(27)23-12-17-8-7-14(2)15(3)10-17/h7-8,10-11,24H,5-6,9,12-13H2,1-4H3,(H,23,27)InChIKey
WGYAKTIORTWTOS-UHFFFAOYSA-NSynonyms
2((3butyl6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(34dimethylbenzyl)acetamide
2((3butyl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N((34dimethylphenyl)methyl)acetamide
CCCCN1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NCC3=CC(=C(C=C3)C)C
CCCCn1c(SCC(=O)NCc2ccc(c(c2)C)C)nc2c(c1=O)(nH)c(c2)C
InChI=1SC22H28N4O2Sc15692621(28)2018(1116(4)2420)2522(26)291319(27)2312178714(2)15(3)1017h78101124H5691213H214H3(H2327)
MFCD18790237
ZINC000067299516
ZINC67299516
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