Vitas-M small molecule compound

N-(3-chlorophenyl)-2-[(3-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

Catalog ID
STL084875
SMILES O=C(Nc1cccc(c1)Cl)CSc1nc2c(c[nH]c2c(=O)n1C)c1ccccc1

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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 C21H17ClN4O2S MW 424.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O2S/c1-26-20(28)19-18(16(11-23-19)13-6-3-2-4-7-13)25-21(26)29-12-17(27)24-15-9-5-8-14(22)10-15/h2-11,23H,12H2,1H3,(H,24,27)
InChIKey
MNOIKILMWOIVIH-UHFFFAOYSA-N
Synonyms
1040637-59-9
1040637599
CN1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)N=C1SCC(=O)NC4=CC(=CC=C4)Cl
InChI=1SC21H17ClN4O2Sc12620(28)1918(16(112319)136324713)2521(26)291217(27)241595814(22)1015h21123H12H21H3(H2427)
MFCD11995381
N(3chlorophenyl)2((3methyl4oxo7phenyl45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(3CHLOROPHENYL)2((3METHYL4OXO7PHENYL45DIHYDRO3HPYRROLO(32D)PYRIMIDIN2YL)THIO)ACETAMIDE
N(3chlorophenyl)2((3methyl4oxo7phenyl5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
O=C(Nc1cccc(c1)Cl)CSc1nc2c(c(nH)c2c(=O)n1C)c1ccccc1
ZINC000016840856
ZINC16840856

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.