Vitas-M small molecule compound

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

Catalog ID
STL144296
SMILES CCOC(=O)c1ccccc1NC(=O)CSc1ncnc2c1[nH]cc2c1ccccc1

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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 C23H20N4O3S MW 432.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O3S/c1-2-30-23(29)16-10-6-7-11-18(16)27-19(28)13-31-22-21-20(25-14-26-22)17(12-24-21)15-8-4-3-5-9-15/h3-12,14,24H,2,13H2,1H3,(H,27,28)
InChIKey
DVUPVWMSWYTUCO-UHFFFAOYSA-N
Synonyms
1110965-02-0
1110965020
CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=NC3=C2NC=C3C4=CC=CC=C4
CCOC(=O)c1ccccc1NC(=O)CSc1ncnc2c1(nH)cc2c1ccccc1
ethyl2((((7phenyl5Hpyrrolo(32d)pyrimidin4yl)sulfanyl)acetyl)amino)benzoate
ETHYL2((((7PHENYL5HPYRROLO(32D)PYRIMIDIN4YL)THIO)ACETYL)AMINO)BENZOATE
ethyl2((2((7phenyl5Hpyrrolo(32d)pyrimidin4yl)sulfanyl)acetyl)amino)benzoate
ETHYL2(2((7PHENYL5HPYRROLO(32D)PYRIMIDIN4YL)THIO)ACETAMIDO)BENZOATE
InChI=1SC23H20N4O3Sc123023(29)1610671118(16)2719(28)1331222120(25142622)17(122421)158435915h3121424H213H21H3(H2728)
MFCD15137650
ZINC000033169961
ZINC33169961

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Available files

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