Vitas-M small molecule compound

2-({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(thiophen-2-ylmethyl)acetamide

Catalog ID
STK667368
SMILES O=C(NCc1cccs1)CSc1nc2c(n1Cc1cccc(c1)C(F)(F)F)c(=O)n(c(=O)n2C)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 C22H20F3N5O3S2 MW 523.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F3N5O3S2/c1-28-18-17(19(32)29(2)21(28)33)30(11-13-5-3-6-14(9-13)22(23,24)25)20(27-18)35-12-16(31)26-10-15-7-4-8-34-15/h3-9H,10-12H2,1-2H3,(H,26,31)
InChIKey
SCEYWBKHXQVJNW-UHFFFAOYSA-N
Synonyms

2((13dimethyl26dioxo7(3(trifluoromethyl)benzyl)2367tetrahydro1Hpurin8yl)sulfanyl)N(thiophen2ylmethyl)acetamide
2(13DIMETHYL26DIOXO7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURIN8YL)SULFANYLN(THIOPHEN2YLMETHYL)ACETAMIDE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NCC3=CC=CS3)CC4=CC(=CC=C4)C(F)(F)F
InChI=1SC22H20F3N5O3S2c1281817(19(32)29(2)21(28)33)30(111353614(913)22(2324)25)20(2718)351216(31)2610157483415h39H1012H212H3(H2631)
MFCD06016918
ZINC000098008014
ZINC98008014

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Available files

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