Vitas-M small molecule compound
2-(9H-purin-6-ylsulfanyl)-N-(2,4,6-trichlorophenyl)acetamide
Catalog ID
STL293645
SMILES O=C(Nc1c(Cl)cc(cc1Cl)Cl)CSc1ncnc2c1nc[nH]2
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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 C13H8Cl3N5OS MW 388.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H8Cl3N5OS/c14-6-1-7(15)10(8(16)2-6)21-9(22)3-23-13-11-12(18-4-17-11)19-5-20-13/h1-2,4-5H,3H2,(H,21,22)(H,17,18,19,20)InChIKey
JDENKRADMKLCSK-UHFFFAOYSA-NSynonyms
2(7HPURIN6YLSULFANYL)N(246TRICHLOROPHENYL)ACETAMIDE
2(9Hpurin6ylsulfanyl)N(246trichlorophenyl)acetamide
C1=C(C=C(C(=C1Cl)NC(=O)CSC2=NC=NC3=C2NC=N3)Cl)Cl
InChI=1SC13H8Cl3N5OSc14617(15)10(8(16)26)219(22)323131112(1841711)1952013h1245H3H2(H2122)(H17181920)
MFCD24850287
O=C(Nc1c(Cl)cc(cc1Cl)Cl)CSc1ncnc2c1nc(nH)2
ZINC000007344121
ZINC7344121
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