Vitas-M small molecule compound
8-{2-methoxy-4-[(Z)-(3-oxo[1,3]thiazolo[3,2-a]benzimidazol-2(3H)-ylidene)methyl]phenoxy}-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK759050
SMILES COc1cc(ccc1Oc1nc2c(n1C)c(=O)n(c(=O)n2C)C)/C=c/1\sc2n(c1=O)c1c(n2)cccc1
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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 C25H20N6O5S MW 516.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N6O5S/c1-28-19-20(29(2)25(34)30(3)22(19)33)27-23(28)36-16-10-9-13(11-17(16)35-4)12-18-21(32)31-15-8-6-5-7-14(15)26-24(31)37-18/h5-12H,1-4H3/b18-12-InChIKey
MXNNJPAWNWFNJN-PDGQHHTCSA-NSynonyms
8(2METHOXY4((Z)(1OXO(13)THIAZOLO(32A)BENZIMIDAZOL2YLIDENE)METHYL)PHENOXY)137TRIMETHYLPURINE26DIONE
8(2methoxy4((Z)(3oxo(13)thiazolo(32a)benzimidazol2(3H)ylidene)methyl)phenoxy)137trimethyl37dihydro1Hpurine26dione
CN1C2=C(N=C1OC3=C(C=C(C=C3)C=C4C(=O)N5C6=CC=CC=C6N=C5S4)OC)N(C(=O)N(C2=O)C)C
COc1cc(ccc1Oc1nc2c(n1C)c(=O)n(c(=O)n2C)C)C=c1sc2n(c1=O)c1c(n2)cccc1
InChI=1SC25H20N6O5Sc1281920(29(2)25(34)30(3)22(19)33)2723(28)361610913(1117(16)354)121821(32)3115865714(15)2624(31)3718h512H14H3b1812
MFCD01460641
ZINC000012427983
ZINC12427983
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