Vitas-M small molecule compound

4-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-N-[3-(propan-2-yloxy)propyl]piperazine-1-carbothioamide

Catalog ID
STK262626
SMILES CC(OCCCNC(=S)N1CCN(CC1)c1[nH]c2c(n1)n(C)c(=O)n(c2=O)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 C18H29N7O3S MW 423.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H29N7O3S/c1-12(2)28-11-5-6-19-17(29)25-9-7-24(8-10-25)16-20-13-14(21-16)22(3)18(27)23(4)15(13)26/h12H,5-11H2,1-4H3,(H,19,29)(H,20,21)
InChIKey
BAPRCRZXCBKTJT-UHFFFAOYSA-N
Synonyms
885900-09-4
13DIMETHYL8(4(((3(METHYLETHOXY)PROPYL)AMINO)THIOXOMETHYL)PIPERAZINYL)137TRIHYDROPURINE26DIONE
4(13dimethyl26dioxo2367tetrahydro1Hpurin8yl)N(3(propan2yloxy)propyl)piperazine1carbothioamide
4(13dimethyl26dioxo7Hpurin8yl)N(3propan2yloxypropyl)piperazine1carbothioamide
885900094
CC(C)OCCCNC(=S)N1CCN(CC1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C
CC(OCCCNC(=S)N1CCN(CC1)c1(nH)c2c(n1)n(C)c(=O)n(c2=O)C)C
InChI=1SC18H29N7O3Sc112(2)2811561917(29)259724(81025)16201314(2116)22(3)18(27)23(4)15(13)26h12H511H214H3(H1929)(H2021)
MFCD07037351
ZINC000008775219
ZINC08775219
ZINC8775219

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Available files

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