Vitas-M small molecule compound

2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(propylsulfanyl)-1H-benzimidazol-2-yl]acetamide

Catalog ID
STK358711
SMILES CCCSc1ccc2c(c1)nc([nH]2)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

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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 C19H21N7O3S MW 427.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N7O3S/c1-4-7-30-11-5-6-12-13(8-11)22-18(21-12)23-14(27)9-26-10-20-16-15(26)17(28)25(3)19(29)24(16)2/h5-6,8,10H,4,7,9H2,1-3H3,(H2,21,22,23,27)
InChIKey
FAKAOSJTNAKYIW-UHFFFAOYSA-N
Synonyms

2(13dimethyl26dioxo1236tetrahydro7Hpurin7yl)N(5(propylsulfanyl)1Hbenzimidazol2yl)acetamide
2(13dimethyl26dioxopurin7yl)N(6propylsulfanyl1Hbenzimidazol2yl)acetamide
CCCSC1=CC2=C(C=C1)N=C(N2)NC(=O)CN3C=NC4=C3C(=O)N(C(=O)N4C)C
CCCSc1ccc2c(c1)nc((nH)2)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChI=1SC19H21N7O3Sc1473011561213(811)2218(2112)2314(27)92610201615(26)17(28)25(3)19(29)24(16)2h56810H479H213H3(H221222327)
MFCD11843501
ZINC000016651706
ZINC16651706

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Available files

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