Vitas-M small molecule compound
N-[1-benzyl-4,6-dioxo-2-thioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]benzamide
Catalog ID
STK786901
SMILES O=C(c1ccccc1)NC1(C(=O)Nc2c1c(=O)[nH]c(=S)n2Cc1ccccc1)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 C21H15F3N4O3S MW 460.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15F3N4O3S/c22-21(23,24)20(27-16(29)13-9-5-2-6-10-13)14-15(25-18(20)31)28(19(32)26-17(14)30)11-12-7-3-1-4-8-12/h1-10H,11H2,(H,25,31)(H,27,29)(H,26,30,32)InChIKey
FWLWWCKKPKLUGD-UHFFFAOYSA-NSynonyms
C1=CC=C(C=C1)CN2C3=C(C(=O)NC2=S)C(C(=O)N3)(C(F)(F)F)NC(=O)C4=CC=CC=C4
InChI=1SC21H15F3N4O3Sc2221(2324)20(2716(29)1395261013)1415(2518(20)31)28(19(32)2617(14)30)11127314812h110H11H2(H2531)(H2729)(H263032)
MFCD06006862
N(1BENZYL46DIOXO2SULFANYLIDENE5(TRIFLUOROMETHYL)7HPYRROLO(23D)PYRIMIDIN5YL)BENZAMIDE
N(1benzyl46dioxo2thioxo5(trifluoromethyl)234567hexahydro1Hpyrrolo(23d)pyrimidin5yl)benzamide
O=C(c1ccccc1)NC1(C(=O)Nc2c1c(=O)(nH)c(=S)n2Cc1ccccc1)C(F)(F)F
ZINC000002879555
ZINC000002879556
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