Vitas-M small molecule compound
2-methyl-4-oxo-3-[2-(7H-purin-6-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-2,6-methano-1,3-benzoxazocine-5-carboxamide
Catalog ID
STL550290
SMILES NC(=O)C1C(=O)N(CCNc2ncnc3c2[nH]cn3)C2(CC1c1ccccc1O2)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 C20H21N7O3 MW 407.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N7O3/c1-20-8-12(11-4-2-3-5-13(11)30-20)14(16(21)28)19(29)27(20)7-6-22-17-15-18(24-9-23-15)26-10-25-17/h2-5,9-10,12,14H,6-8H2,1H3,(H2,21,28)(H2,22,23,24,25,26)InChIKey
MMJORIFPGDWBAA-UHFFFAOYSA-NSynonyms
129895234
2methyl4oxo3(2(7Hpurin6ylamino)ethyl)3456tetrahydro2H26methano13benzoxazocine5carboxamide
3(2((9Hpurin6yl)amino)ethyl)2methyl4oxo3456tetrahydro2H26methanobenzo(g)(13)oxazocine5carboxamide
9methyl11oxo10(2(7~(H)purin6ylamino)ethyl)8oxa10azatricyclo(7310^(27))trideca246triene12carboxamide
InChI=1SC20H21N7O3c120812(11423513(11)3020)14(16(21)28)19(29)27(20)7622171518(2492315)26102517h259101214H68H21H3(H22128)(H22223242526)
MFCD31757500
NC(=O)C1C(=O)N(CCNc2ncnc3c2nc(nH)3)C2(CC1c1ccccc1O2)C
ZINC000524730537
ZINC000524730538
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