Vitas-M small molecule compound
2-{[3-(butan-2-yl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-(1-phenylethyl)acetamide
Catalog ID
STL099009
SMILES CCC(n1c(SCC(=O)NC(c2ccccc2)C)nc2c(c1=O)[nH]c(c2)C)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 C21H26N4O2S MW 398.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O2S/c1-5-14(3)25-20(27)19-17(11-13(2)22-19)24-21(25)28-12-18(26)23-15(4)16-9-7-6-8-10-16/h6-11,14-15,22H,5,12H2,1-4H3,(H,23,26)InChIKey
IIBATPGHLWQKCK-UHFFFAOYSA-NSynonyms
2((3(butan2yl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(1phenylethyl)acetamide
2((3butan2yl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(1phenylethyl)acetamide
CCC(C)N1C(=O)C2=C(C=C(N2)C)N=C1SCC(=O)NC(C)C3=CC=CC=C3
CCC(n1c(SCC(=O)NC(c2ccccc2)C)nc2c(c1=O)(nH)c(c2)C)C
InChI=1SC21H26N4O2Sc1514(3)2520(27)1917(1113(2)2219)2421(25)281218(26)2315(4)1697681016h611141522H512H214H3(H2326)
MFCD18790241
ZINC000067299543
ZINC000067299556
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