Vitas-M small molecule compound
N-[2-(3,4-diethoxyphenyl)ethyl]-2-({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Catalog ID
STK685740
SMILES CCOc1cc(CCNC(=O)CSc2nc3c(n2Cc2cccc(c2)C(F)(F)F)c(=O)n(c(=O)n3C)C)ccc1OCC
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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 C29H32F3N5O5S MW 619.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32F3N5O5S/c1-5-41-21-11-10-18(15-22(21)42-6-2)12-13-33-23(38)17-43-27-34-25-24(26(39)36(4)28(40)35(25)3)37(27)16-19-8-7-9-20(14-19)29(30,31)32/h7-11,14-15H,5-6,12-13,16-17H2,1-4H3,(H,33,38)InChIKey
CDMFIDXXMAXWSB-UHFFFAOYSA-NSynonyms
CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=C(N2CC4=CC(=CC=C4)C(F)(F)F)C(=O)N(C(=O)N3C)C)OCC
InChI=1SC29H32F3N5O5Sc154121111018(1522(21)4262)12133323(38)174327342524(26(39)36(4)28(40)35(25)3)37(27)161987920(1419)29(3031)32h7111415H5612131617H214H3(H3338)
MFCD05860492
N(2(34diethoxyphenyl)ethyl)2((13dimethyl26dioxo7(3(trifluoromethyl)benzyl)2367tetrahydro1Hpurin8yl)sulfanyl)acetamide
N(2(34DIETHOXYPHENYL)ETHYL)2(13DIMETHYL26DIOXO7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURIN8YL)SULFANYLACETAMIDE
ZINC000098007386
ZINC98007386
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