Vitas-M small molecule compound
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(6-methyl-4-oxo-3-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
Catalog ID
STL093378
SMILES O=C(Nc1cc(ccc1Cl)C(F)(F)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 C22H16ClF3N4O2S MW 492.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClF3N4O2S/c1-12-9-17-19(27-12)20(32)30(14-5-3-2-4-6-14)21(29-17)33-11-18(31)28-16-10-13(22(24,25)26)7-8-15(16)23/h2-10,27H,11H2,1H3,(H,28,31)InChIKey
AZFHPDZLBYLNCG-UHFFFAOYSA-NSynonyms
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C4=CC=CC=C4
InChI=1SC22H16ClF3N4O2Sc11291719(2712)20(32)30(145324614)21(2917)331118(31)28161013(22(2425)26)7815(16)23h21027H11H21H3(H2831)
MFCD18787512
N(2chloro5(trifluoromethyl)phenyl)2((6methyl4oxo3phenyl45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
N(2chloro5(trifluoromethyl)phenyl)2((6methyl4oxo3phenyl5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)acetamide
O=C(Nc1cc(ccc1Cl)C(F)(F)F)CSc1nc2cc((nH)c2c(=O)n1c1ccccc1)C
ZINC000067236704
ZINC67236704
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