Vitas-M small molecule compound
3-{7-[2-(dimethylamino)ethyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-1-yl}propyl 3,4,5-trimethoxybenzoate
Catalog ID
STL513345
SMILES COc1c(OC)cc(cc1OC)C(=O)OCCCn1c(=O)c2n(CCN(C)C)cnc2n(c1=O)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 C23H31N5O7 MW 489.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31N5O7/c1-25(2)9-10-27-14-24-20-18(27)21(29)28(23(31)26(20)3)8-7-11-35-22(30)15-12-16(32-4)19(34-6)17(13-15)33-5/h12-14H,7-11H2,1-6H3InChIKey
LJEBTSOEROHMGJ-UHFFFAOYSA-NSynonyms
3(7(2(dimethylamino)ethyl)3methyl26dioxo2367tetrahydro1Hpurin1yl)propyl345trimethoxybenzoate
3(7(2(dimethylamino)ethyl)3methyl26dioxo2367tetrahydro1Hpurin1yl)propyl345trimethoxybenzoatehydrochloride
3(7(2(dimethylamino)ethyl)3methyl26dioxopurin1yl)propyl345trimethoxybenzoate
3(7(2DIMETHYLAMINOETHYL)3METHYL26DIOXOPURIN1YL)PROPYL345TRIMETHOXYBENZOATE
3390813
COc1c(OC)cc(cc1OC)C(=O)OCCCn1c(=O)c2n(CCN(C)C)cnc2n(c1=O)CCl
InChI=1SC23H31N5O7c125(2)9102714242018(27)21(29)28(23(31)26(20)3)87113522(30)151216(324)19(346)17(1315)335h1214H711H216H3
MFCD02925093
ZINC000008740302
ZINC8740302
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