Vitas-M small molecule compound

7-ethyl-8-{4-[2-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-2-oxoethyl]piperazin-1-yl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK527424
SMILES COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)c1nc3c(n1CC)c(=O)[nH]c(=O)n3C)c(n2C)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 C25H31N7O4 MW 493.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N7O4/c1-6-32-21-22(29(4)25(35)27-23(21)34)26-24(32)31-11-9-30(10-12-31)14-19(33)20-15(2)28(3)18-8-7-16(36-5)13-17(18)20/h7-8,13H,6,9-12,14H2,1-5H3,(H,27,34,35)
InChIKey
FHXNAZHQASAFKK-UHFFFAOYSA-N
Synonyms
371228-38-5
371228385
7ethyl8(4(2(5methoxy12dimethyl1Hindol3yl)2oxoethyl)piperazin1yl)3methyl1Hpurine26(3H7H)dione
7ethyl8(4(2(5methoxy12dimethyl1Hindol3yl)2oxoethyl)piperazin1yl)3methyl37dihydro1Hpurine26dione
7ETHYL8(4(2(5METHOXY12DIMETHYL1HINDOL3YL)2OXOETHYL)PIPERAZIN1YL)3METHYL37DIHYDROPURINE26DIONE
7ETHYL8(4(2(5METHOXY12DIMETHYLINDOL3YL)2OXOETHYL)PIPERAZIN1YL)3METHYLPURINE26DIONE
CCN1C2=C(N=C1N3CCN(CC3)CC(=O)C4=C(N(C5=C4C=C(C=C5)OC)C)C)N(C(=O)NC2=O)C
COc1ccc2c(c1)c(C(=O)CN1CCN(CC1)c1nc3c(n1CC)c(=O)(nH)c(=O)n3C)c(n2C)C
InChI=1SC25H31N7O4c16322122(29(4)25(35)2723(21)34)2624(32)3111930(101231)1419(33)2015(2)28(3)188716(365)1317(18)20h7813H691214H215H3(H273435)
MFCD01552355
ZINC000036006112
ZINC36006112

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Available files

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