Vitas-M small molecule compound
2-{[3-(furan-2-ylmethyl)-6-methyl-4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Catalog ID
STL093246
SMILES O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc2cc([nH]c2c(=O)n1Cc1ccco1)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 C21H17F3N4O3S MW 462.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17F3N4O3S/c1-12-8-16-18(25-12)19(30)28(10-15-6-3-7-31-15)20(27-16)32-11-17(29)26-14-5-2-4-13(9-14)21(22,23)24/h2-9,25H,10-11H2,1H3,(H,26,29)InChIKey
CSSAZZBCQZTHJQ-UHFFFAOYSA-NSynonyms
2((3(furan2ylmethyl)6methyl4oxo45dihydro3Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(3(trifluoromethyl)phenyl)acetamide
2((3(furan2ylmethyl)6methyl4oxo5Hpyrrolo(32d)pyrimidin2yl)sulfanyl)N(3(trifluoromethyl)phenyl)acetamide
CC1=CC2=C(N1)C(=O)N(C(=N2)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)CC4=CC=CO4
InChI=1SC21H17F3N4O3Sc11281618(2512)19(30)28(10156373115)20(2716)321117(29)261452413(914)21(2223)24h2925H1011H21H3(H2629)
MFCD18787380
O=C(Nc1cccc(c1)C(F)(F)F)CSc1nc2cc((nH)c2c(=O)n1Cc1ccco1)C
ZINC000067236188
ZINC67236188
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