Vitas-M small molecule compound

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

Catalog ID
STL482254
SMILES Cc1ccc(c(c1)C)NC(=S)N1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)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 C20H25N7O2S MW 427.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N7O2S/c1-12-5-6-14(13(2)11-12)21-19(30)27-9-7-26(8-10-27)18-22-15-16(23-18)24(3)20(29)25(4)17(15)28/h5-6,11H,7-10H2,1-4H3,(H,21,30)(H,22,23)
InChIKey
PBGSIIIQUBQSQC-UHFFFAOYSA-N
Synonyms

4(13dimethyl26dioxo2367tetrahydro1Hpurin8yl)N(24dimethylphenyl)piperazine1carbothioamide
4(13dimethyl26dioxo7Hpurin8yl)N(24dimethylphenyl)piperazine1carbothioamide
8(4(((24DIMETHYLPHENYL)AMINO)THIOXOMETHYL)PIPERAZINYL)13DIMETHYL137TRIHYDROPURINE26DIONE
CC1=CC(=C(C=C1)NC(=S)N2CCN(CC2)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C)C
Cc1ccc(c(c1)C)NC(=S)N1CCN(CC1)c1(nH)c2c(n1)n(C)c(=O)n(c2=O)C
InChI=1SC20H25N7O2Sc1125614(13(2)1112)2119(30)279726(81027)18221516(2318)24(3)20(29)25(4)17(15)28h5611H710H214H3(H2130)(H2223)
MFCD07037321
ZINC000008775169
ZINC08775169
ZINC8775169

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Available files

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