Vitas-M small molecule compound

methyl 4-({[(3-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STL084865
SMILES COC(=O)c1ccc(cc1)NC(=O)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 C23H20N4O4S MW 448.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O4S/c1-27-21(29)20-19(17(12-24-20)14-6-4-3-5-7-14)26-23(27)32-13-18(28)25-16-10-8-15(9-11-16)22(30)31-2/h3-12,24H,13H2,1-2H3,(H,25,28)
InChIKey
YPOZMKVMTUCSBG-UHFFFAOYSA-N
Synonyms
1040638-78-5
1040638785
CN1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)N=C1SCC(=O)NC4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)NC(=O)CSc1nc2c(c(nH)c2c(=O)n1C)c1ccccc1
InChI=1SC23H20N4O4Sc12721(29)2019(17(122420)146435714)2623(27)321318(28)251610815(91116)22(30)312h31224H13H212H3(H2528)
methyl4((((3methyl4oxo7phenyl45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
methyl4((2((3methyl4oxo7phenyl5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
METHYL4(2((3METHYL4OXO7PHENYL45DIHYDRO3HPYRROLO(32D)PYRIMIDIN2YL)THIO)ACETAMIDO)BENZOATE
MFCD11995397
ZINC000016840891
ZINC16840891

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Available files

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