Vitas-M small molecule compound

N-(2,5-dimethoxyphenyl)-4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperazine-1-carbothioamide

Catalog ID
STK262617
SMILES COc1ccc(cc1NC(=S)N1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)C)OC

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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 C20H25N7O4S MW 459.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N7O4S/c1-24-16-15(17(28)25(2)20(24)29)22-18(23-16)26-7-9-27(10-8-26)19(32)21-13-11-12(30-3)5-6-14(13)31-4/h5-6,11H,7-10H2,1-4H3,(H,21,32)(H,22,23)
InChIKey
KTWAGKNOLNVWDX-UHFFFAOYSA-N
Synonyms
885899-73-0
8(4(((25DIMETHOXYPHENYL)AMINO)THIOXOMETHYL)PIPERAZINYL)13DIMETHYL137TRIHYDROPURINE26DIONE
885899730
CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3CCN(CC3)C(=S)NC4=C(C=CC(=C4)OC)OC
COc1ccc(cc1NC(=S)N1CCN(CC1)c1(nH)c2c(n1)n(C)c(=O)n(c2=O)C)OC
InChI=1SC20H25N7O4Sc1241615(17(28)25(2)20(24)29)2218(2316)267927(10826)19(32)21131112(303)5614(13)314h5611H710H214H3(H2132)(H2223)
MFCD07037330
N(25dimethoxyphenyl)4(13dimethyl26dioxo2367tetrahydro1Hpurin8yl)piperazine1carbothioamide
N(25dimethoxyphenyl)4(13dimethyl26dioxo7Hpurin8yl)piperazine1carbothioamide
ZINC000008775180
ZINC08775180
ZINC8775180

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Available files

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