Vitas-M small molecule compound

N-{4-[chloro(difluoro)methoxy]phenyl}-2-({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide

Catalog ID
STK686009
SMILES O=C(Nc1ccc(cc1)OC(Cl)(F)F)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 C24H19ClF5N5O4S MW 603.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19ClF5N5O4S/c1-33-19-18(20(37)34(2)22(33)38)35(11-13-4-3-5-14(10-13)23(26,27)28)21(32-19)40-12-17(36)31-15-6-8-16(9-7-15)39-24(25,29)30/h3-10H,11-12H2,1-2H3,(H,31,36)
InChIKey
PWKNPIBFWMIFAB-UHFFFAOYSA-N
Synonyms

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)CC4=CC(=CC=C4)C(F)(F)F
InChI=1SC24H19ClF5N5O4Sc1331918(20(37)34(2)22(33)38)35(111343514(1013)23(2627)28)21(3219)401217(36)31156816(9715)3924(2529)30h310H1112H212H3(H3136)
MFCD06014226
N(4(chloro(difluoro)methoxy)phenyl)2((13dimethyl26dioxo7(3(trifluoromethyl)benzyl)2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
N(4(CHLORO(DIFLUORO)METHOXY)PHENYL)2(13DIMETHYL26DIOXO7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURIN8YL)SULFANYLACETAMIDE
ZINC000098007796
ZINC98007796

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Available files

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