Vitas-M small molecule compound
N-(3-chloro-4-fluorobenzyl)-2-[(6-methyl-4-oxo-3-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL103704
SMILES O=C(NCc1ccc(c(c1)Cl)F)CSc1nc2cc([nH]c2c(=O)n1c1ccccc1)C
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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 C22H18ClFN4O2S MW 456.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClFN4O2S/c1-13-9-18-20(26-13)21(30)28(15-5-3-2-4-6-15)22(27-18)31-12-19(29)25-11-14-7-8-17(24)16(23)10-14/h2-10,26H,11-12H2,1H3,(H,25,29)InChIKey
NQJMEHZOFVYSNU-UHFFFAOYSA-NSynonyms
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NCC3=CC(=C(C=C3)F)Cl)C4=CC=CC=C4
InChI=1SC22H18ClFN4O2Sc11391820(2613)21(30)28(155324615)22(2718)311219(29)2511147817(24)16(23)1014h21026H1112H21H3(H2529)
MFCD20735306
N((3chloro4fluorophenyl)methyl)2((6methyl4oxo3phenyl5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(3chloro4fluorobenzyl)2((6methyl4oxo3phenyl45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
O=C(NCc1ccc(c(c1)Cl)F)CSc1nc2cc((nH)c2c(=O)n1c1ccccc1)C
ZINC000067236901
ZINC67236901
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