Vitas-M small molecule compound
3-{[7-(2,6-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-(3,4-dimethylphenyl)propanamide
Catalog ID
STK682573
SMILES O=C(Nc1ccc(c(c1)C)C)CCSc1nc2c(n1Cc1c(Cl)cccc1Cl)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 C25H25Cl2N5O3S MW 546.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25Cl2N5O3S/c1-14-8-9-16(12-15(14)2)28-20(33)10-11-36-24-29-22-21(23(34)31(4)25(35)30(22)3)32(24)13-17-18(26)6-5-7-19(17)27/h5-9,12H,10-11,13H2,1-4H3,(H,28,33)InChIKey
SRLBNKGQNMICLB-UHFFFAOYSA-NSynonyms
3((7(26dichlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)N(34dimethylphenyl)propanamide
3(7((26DICHLOROPHENYL)METHYL)13DIMETHYL26DIOXOPURIN8YL)SULFANYLN(34DIMETHYLPHENYL)PROPANAMIDE
CC1=C(C=C(C=C1)NC(=O)CCSC2=NC3=C(N2CC4=C(C=CC=C4Cl)Cl)C(=O)N(C(=O)N3C)C)C
InChI=1SC25H25Cl2N5O3Sc1148916(1215(14)2)2820(33)10113624292221(23(34)31(4)25(35)30(22)3)32(24)131718(26)65719(17)27h5912H101113H214H3(H2833)
MFCD03856111
ZINC000001440850
ZINC1440850
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