Vitas-M small molecule compound
N-[1-benzyl-4,6-dioxo-2-sulfanyl-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-4-fluorobenzamide
Catalog ID
STK575051
SMILES Fc1ccc(cc1)C(=O)NC1(C(=O)Nc2c1c(=O)nc(n2Cc1ccccc1)S)C(F)(F)F
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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 C21H14F4N4O3S MW 478.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14F4N4O3S/c22-13-8-6-12(7-9-13)16(30)28-20(21(23,24)25)14-15(26-18(20)32)29(19(33)27-17(14)31)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,26,32)(H,28,30)(H,27,31,33)InChIKey
AQLPQJINIGJQOO-UHFFFAOYSA-NSynonyms
896674-48-9896674489
C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=S)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=C(C=C4)F
InChI=1SC21H14F4N4O3Sc22138612(7913)16(30)2820(21(2324)25)1415(2618(20)32)29(19(33)2717(14)31)10114213511h19H10H2(H2632)(H2830)(H273133)
MFCD07198135
N(1benzyl46dioxo2sulfanyl5(trifluoromethyl)4567tetrahydro1Hpyrrolo(23d)pyrimidin5yl)4fluorobenzamide
N(1BENZYL46DIOXO2SULFANYLIDENE5(TRIFLUOROMETHYL)7HPYRROLO(23D)PYRIMIDIN5YL)4FLUOROBENZAMIDE
ZINC000101343133
ZINC000101343135
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