Vitas-M small molecule compound
{1,3-dimethyl-2,6-dioxo-8-[(4-phenoxyphenyl)amino]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetic acid
Catalog ID
STL160791
SMILES OC(=O)Cn1c(Nc2ccc(cc2)Oc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C
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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 C21H19N5O5 MW 421.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O5/c1-24-18-17(19(29)25(2)21(24)30)26(12-16(27)28)20(23-18)22-13-8-10-15(11-9-13)31-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,22,23)(H,27,28)InChIKey
DRKAXAPMGMYZOP-UHFFFAOYSA-NSynonyms
946272-94-2(13dimethyl26dioxo8((4phenoxyphenyl)amino)1236tetrahydro7Hpurin7yl)aceticacid
2(13DIMETHYL26DIOXO8((4PHENOXYPHENYL)AMINO)23DIHYDRO1HPURIN7(6H)YL)ACETICACID
2(13dimethyl26dioxo8(4phenoxyanilino)purin7yl)aceticacid
946272942
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)CC(=O)O
InChI=1SC21H19N5O5c1241817(19(29)25(2)21(24)30)26(1216(27)28)20(2318)221381015(11913)31146435714h311H12H212H3(H2223)(H2728)
MFCD09986842
ZINC000012443260
ZINC12443260
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