Vitas-M small molecule compound

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

Catalog ID
STK833727
SMILES C/C(=C/Cn1c(N/N=C(/c2ccc(cc2)[N+](=O)[O-])\C)nc2c1c(=O)[nH]c(=O)n2C)/Cl

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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 C18H18ClN7O4 MW 431.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClN7O4/c1-10(19)8-9-25-14-15(24(3)18(28)21-16(14)27)20-17(25)23-22-11(2)12-4-6-13(7-5-12)26(29)30/h4-8H,9H2,1-3H3,(H,20,23)(H,21,27,28)/b10-8-,22-11+
InChIKey
CKRXNUHPDWIIPI-MIRPHMKXSA-N
Synonyms
317842-41-4
317842414
7((2Z)3chlorobut2en1yl)3methyl8((2E)2(1(4nitrophenyl)ethylidene)hydrazinyl)37dihydro1Hpurine26dione
7((Z)3chlorobut2en1yl)3methyl8((E)2(1(4nitrophenyl)ethylidene)hydrazinyl)1Hpurine26(3H7H)dione
7((Z)3CHLOROBUT2ENYL)3METHYL8((2E)2(1(4NITROPHENYL)ETHYLIDENE)HYDRAZINYL)PURINE26DIONE
CC(=CCn1c(NN=C(c2ccc(cc2)(N+)(=O)(O))C)nc2c1c(=O)(nH)c(=O)n2C)Cl
CC(=CCN1C2=C(N=C1NN=C(C)C3=CC=C(C=C3)(N+)(=O)(O))N(C(=O)NC2=O)C)Cl
InChI=1SC18H18ClN7O4c110(19)89251415(24(3)18(28)2116(14)27)2017(25)232211(2)124613(7512)26(29)30h48H9H213H3(H2023)(H212728)b1082211+
MFCD01534111
ZINC000008934239
ZINC05220289
ZINC5220289

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Available files

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