Vitas-M small molecule compound
ethyl 2-({[(3-cyclopropyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetyl}amino)benzoate
Catalog ID
STL084708
SMILES CCOC(=O)c1ccccc1NC(=O)CSc1nc2c(c[nH]c2c(=O)n1C1CC1)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 C26H24N4O4S MW 488.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O4S/c1-2-34-25(33)18-10-6-7-11-20(18)28-21(31)15-35-26-29-22-19(16-8-4-3-5-9-16)14-27-23(22)24(32)30(26)17-12-13-17/h3-11,14,17,27H,2,12-13,15H2,1H3,(H,28,31)InChIKey
YXFHGHAUKTUTIR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C(=O)N2C4CC4)NC=C3C5=CC=CC=C5
CCOC(=O)c1ccccc1NC(=O)CSc1nc2c(c(nH)c2c(=O)n1C1CC1)c1ccccc1
ethyl2((((3cyclopropyl4oxo7phenyl45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
ethyl2((2((3cyclopropyl4oxo7phenyl5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetyl)amino)benzoate
InChI=1SC26H24N4O4Sc123425(33)1810671120(18)2821(31)153526292219(168435916)142723(22)24(32)30(26)17121317h311141727H2121315H21H3(H2831)
MFCD11995009
ZINC000017306712
ZINC17306712
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