Vitas-M small molecule compound
8-{(2Z)-2-[(3E)-4-(2-chlorophenyl)but-3-en-2-ylidene]hydrazinyl}-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK838620
SMILES CC(=C)Cn1c(N/N=C(\C=C\c2ccccc2Cl)/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 C20H21ClN6O2 MW 412.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN6O2/c1-12(2)11-27-16-17(26(4)20(29)23-18(16)28)22-19(27)25-24-13(3)9-10-14-7-5-6-8-15(14)21/h5-10H,1,11H2,2-4H3,(H,22,25)(H,23,28,29)/b10-9+,24-13-InChIKey
NOBMXXMEEWSKDX-VKEGDMCCSA-NSynonyms
332388-40-6332388406
8((2Z)2((3E)4(2chlorophenyl)but3en2ylidene)hydrazinyl)3methyl7(2methylprop2en1yl)37dihydro1Hpurine26dione
8((2Z)2((E)4(2CHLOROPHENYL)BUT3EN2YLIDENE)HYDRAZINYL)3METHYL7(2METHYLPROP2ENYL)PURINE26DIONE
8((Z)2((E)4(2chlorophenyl)but3en2ylidene)hydrazinyl)3methyl7(2methylallyl)1Hpurine26(3H7H)dione
CC(=C)Cn1c(NN=C(C=Cc2ccccc2Cl)C)nc2c1c(=O)(nH)c(=O)n2C
CC(=C)CN1C2=C(N=C1NN=C(C)C=CC3=CC=CC=C3Cl)N(C(=O)NC2=O)C
InChI=1SC20H21ClN6O2c112(2)11271617(26(4)20(29)2318(16)28)2219(27)252413(3)91014756815(14)21h510H111H224H3(H2225)(H232829)b109+2413
MFCD01955772
ZINC000013774949
ZINC00863352
ZINC863352
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