Vitas-M small molecule compound

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide

Catalog ID
STK045461
SMILES O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1nnc(s1)C(C)(C)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 C15H19N7O3S MW 377.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H19N7O3S/c1-15(2,3)12-18-19-13(26-12)17-8(23)6-22-7-16-10-9(22)11(24)21(5)14(25)20(10)4/h7H,6H2,1-5H3,(H,17,19,23)
InChIKey
ZCHXKENKBDQABB-UHFFFAOYSA-N
Synonyms
432538-96-0
2(13DIMETHYL26DIOXO(137TRIHYDROPURIN7YL))N(5(TERTBUTYL)(134THIADIAZOL2YL))ACETAMIDE
432538960
CC(C)(C)C1=NN=C(S1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C
InChI=1SC15H19N7O3Sc115(23)12181913(2612)178(23)622716109(22)11(24)21(5)14(25)20(10)4h7H6H215H3(H171923)
MFCD03043015
N(5tertbutyl134thiadiazol2yl)2(13dimethyl26dioxo1236tetrahydro7Hpurin7yl)acetamide
N(5tertbutyl134thiadiazol2yl)2(13dimethyl26dioxopurin7yl)acetamide
O=C(Cn1cnc2c1c(=O)n(C)c(=O)n2C)Nc1nnc(s1)C(C)(C)C
STK045461
ZINC000000917434
ZINC00917434
ZINC917434

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.