Vitas-M small molecule compound

7-[(2E)-but-2-en-1-yl]-3-methyl-8-{(2Z)-2-[(3E)-4-phenylbut-3-en-2-ylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK700777
SMILES C/C=C/Cn1c(N/N=C(\C=C\c2ccccc2)/C)nc2c1c(=O)[nH]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 C20H22N6O2 MW 378.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N6O2/c1-4-5-13-26-16-17(25(3)20(28)22-18(16)27)21-19(26)24-23-14(2)11-12-15-9-7-6-8-10-15/h4-12H,13H2,1-3H3,(H,21,24)(H,22,27,28)/b5-4+,12-11+,23-14-
InChIKey
QBBJLXFCMFSSPU-CMSLZLKTSA-N
Synonyms
306732-91-2
306732912
7((2E)but2en1yl)3methyl8((2Z)2((3E)4phenylbut3en2ylidene)hydrazinyl)37dihydro1Hpurine26dione
7((E)but2en1yl)3methyl8((Z)2((E)4phenylbut3en2ylidene)hydrazinyl)1Hpurine26(3H7H)dione
7((E)BUT2ENYL)3METHYL8((2Z)2((E)4PHENYLBUT3EN2YLIDENE)HYDRAZINYL)PURINE26DIONE
CC=CCn1c(NN=C(C=Cc2ccccc2)C)nc2c1c(=O)(nH)c(=O)n2C
CC=CCN1C2=C(N=C1NN=C(C)C=CC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC20H22N6O2c14513261617(25(3)20(28)2218(16)27)2119(26)242314(2)11121597681015h412H13H213H3(H2124)(H222728)b54+1211+2314
MFCD01555448
ZINC000004730517
ZINC13633408

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Available files

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