Vitas-M small molecule compound

2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide

Catalog ID
STK021037
SMILES COc1ccc2c(c1)sc(n2)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 C17H16N6O4S MW 400.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N6O4S/c1-21-14-13(15(25)22(2)17(21)26)23(8-18-14)7-12(24)20-16-19-10-5-4-9(27-3)6-11(10)28-16/h4-6,8H,7H2,1-3H3,(H,19,20,24)
InChIKey
ZMWSCZGPXLGAKK-UHFFFAOYSA-N
Synonyms
349441-25-4
2(13dimethyl26dioxo1236tetrahydro7Hpurin7yl)N(6methoxy13benzothiazol2yl)acetamide
2(13dimethyl26dioxo23dihydro1Hpurin7(6H)yl)N(6methoxybenzo(d)thiazol2yl)acetamide
2(13dimethyl26dioxopurin7yl)N(6methoxy13benzothiazol2yl)acetamide
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NC4=C(S3)C=C(C=C4)OC
COc1ccc2c(c1)sc(n2)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChI=1SC17H16N6O4Sc1211413(15(25)22(2)17(21)26)23(81814)712(24)20161910549(273)611(10)2816h468H7H213H3(H192024)
MFCD02736111
STK021037
ZINC000009088743
ZINC09088743
ZINC9088743

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Available files

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