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-(4-ethylphenyl)acetamide
Catalog ID
STL093751
SMILES CCC(n1c(SCC(=O)Nc2ccc(cc2)CC)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(4)25-20(27)19-17(11-13(3)22-19)24-21(25)28-12-18(26)23-16-9-7-15(6-2)8-10-16/h7-11,14,22H,5-6,12H2,1-4H3,(H,23,26)InChIKey
YLGBDBGAXDFRMD-UHFFFAOYSA-NSynonyms
2((3(butan2yl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(4ethylphenyl)acetamide
2((3butan2yl6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(4ethylphenyl)acetamide
CCC(n1c(SCC(=O)Nc2ccc(cc2)CC)nc2c(c1=O)(nH)c(c2)C)C
CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2C(C)CC)NC(=C3)C
InChI=1SC21H26N4O2Sc1514(4)2520(27)1917(1113(3)2219)2421(25)281218(26)23169715(62)81016h7111422H5612H214H3(H2326)
MFCD18787885
ZINC000067238679
ZINC000067238682
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