Vitas-M small molecule compound
7-[(2Z)-3-chlorobut-2-en-1-yl]-8-[(2E)-2-(5-chloro-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL322895
SMILES C/C(=C/Cn1c(N/N=C\2/C(=O)Nc3c2cc(Cl)cc3)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 C18H15Cl2N7O3 MW 448.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15Cl2N7O3/c1-8(19)5-6-27-13-14(26(2)18(30)23-16(13)29)22-17(27)25-24-12-10-7-9(20)3-4-11(10)21-15(12)28/h3-5,7H,6H2,1-2H3,(H,22,25)(H,21,24,28)(H,23,29,30)/b8-5-InChIKey
XYYKFAKCJFMULM-YVMONPNESA-NSynonyms
7((2Z)3chlorobut2en1yl)8((2E)2(5chloro2oxo12dihydro3Hindol3ylidene)hydrazinyl)3methyl37dihydro1Hpurine26dione
7((Z)3chlorobut2enyl)8(2(5chloro2oxoindol3yl)hydrazinyl)3methylpurine26dione
8((E)2(5chloro2oxoindolin3ylidene)hydrazinyl)7((Z)3chlorobut2en1yl)3methyl1Hpurine26(3H7H)dione
CC(=CCn1c(NN=C2C(=O)Nc3c2cc(Cl)cc3)nc2c1c(=O)(nH)c(=O)n2C)Cl
CC(=CCN1C2=C(N=C1NNC3=C4C=C(C=CC4=NC3=O)Cl)N(C(=O)NC2=O)C)Cl
InChI=1SC18H15Cl2N7O3c18(19)56271314(26(2)18(30)2316(13)29)2217(27)2524121079(20)3411(10)2115(12)28h357H6H212H3(H2225)(H212428)(H232930)b85
MFCD01555331
ZINC000008934408
ZINC08934408
ZINC8934408
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