Vitas-M small molecule compound

7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-8-[(3-methylphenyl)amino]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STL343876
SMILES C/C(=C\Cn1c(Nc2cccc(c2)C)nc2c1c(=O)n(c(=O)n2C)C)/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 C18H20ClN5O2 MW 373.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClN5O2/c1-11-6-5-7-13(10-11)20-17-21-15-14(24(17)9-8-12(2)19)16(25)23(4)18(26)22(15)3/h5-8,10H,9H2,1-4H3,(H,20,21)/b12-8+
InChIKey
XXTPJXYYTPGKMM-XYOKQWHBSA-N
Synonyms
1164501-18-1
(E)7(3chlorobut2en1yl)13dimethyl8(mtolylamino)1Hpurine26(3H7H)dione
1164501181
7((2E)3chlorobut2en1yl)13dimethyl8((3methylphenyl)amino)37dihydro1Hpurine26dione
7((E)3CHLOROBUT2ENYL)13DIMETHYL8(3METHYLANILINO)PURINE26DIONE
CC(=CCn1c(Nc2cccc(c2)C)nc2c1c(=O)n(c(=O)n2C)C)Cl
CC1=CC(=CC=C1)NC2=NC3=C(N2CC=C(C)Cl)C(=O)N(C(=O)N3C)C
InChI=1SC18H20ClN5O2c11165713(1011)2017211514(24(17)9812(2)19)16(25)23(4)18(26)22(15)3h5810H9H214H3(H2021)b128+
MFCD04170771
ZINC000000801693
ZINC00801693
ZINC801693

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Available files

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