Vitas-M small molecule compound
ethyl 2-({[(4-oxo-7-phenyl-3-propyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STL193181
SMILES CCCn1c(SCC(=O)Nc2ccccc2C(=O)OCC)nc2c(c1=O)[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 C26H26N4O4S MW 490.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O4S/c1-3-14-30-24(32)23-22(19(15-27-23)17-10-6-5-7-11-17)29-26(30)35-16-21(31)28-20-13-9-8-12-18(20)25(33)34-4-2/h5-13,15,27H,3-4,14,16H2,1-2H3,(H,28,31)InChIKey
JQSFLKJLLMXMGD-UHFFFAOYSA-NSynonyms
CCCN1C(=O)C2=C(C(=CN2)C3=CC=CC=C3)N=C1SCC(=O)NC4=CC=CC=C4C(=O)OCC
CCCn1c(SCC(=O)Nc2ccccc2C(=O)OCC)nc2c(c1=O)(nH)cc2c1ccccc1
ethyl2((((4oxo7phenyl3propyl45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
ethyl2((2((4oxo7phenyl3propyl5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
InChI=1SC26H26N4O4Sc13143024(32)2322(19(152723)17106571117)2926(30)351621(31)282013981218(20)25(33)3442h5131527H341416H212H3(H2831)
MFCD22390923
ZINC000072333447
ZINC72333447
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