Vitas-M small molecule compound
N-cycloheptyl-2-({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Catalog ID
STK743993
SMILES O=C(NC1CCCCCC1)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 C24H28F3N5O3S MW 523.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28F3N5O3S/c1-30-20-19(21(34)31(2)23(30)35)32(13-15-8-7-9-16(12-15)24(25,26)27)22(29-20)36-14-18(33)28-17-10-5-3-4-6-11-17/h7-9,12,17H,3-6,10-11,13-14H2,1-2H3,(H,28,33)InChIKey
YYBMDEPFMHPOGI-UHFFFAOYSA-NSynonyms
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3CCCCCC3)CC4=CC(=CC=C4)C(F)(F)F
InChI=1SC24H28F3N5O3Sc1302019(21(34)31(2)23(30)35)32(131587916(1215)24(2526)27)22(2920)361418(33)28171053461117h791217H3610111314H212H3(H2833)
MFCD06016935
Ncycloheptyl2((13dimethyl26dioxo7(3(trifluoromethyl)benzyl)2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
NCYCLOHEPTYL2(13DIMETHYL26DIOXO7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURIN8YL)SULFANYLACETAMIDE
ZINC000012427893
ZINC12427893
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