Vitas-M small molecule compound
methyl 5-bromo-3-({[(5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]acetyl}amino)-1H-indole-2-carboxylate
Catalog ID
STL526716
SMILES COC(=O)c1[nH]c2c(c1NC(=O)CN1C[C@H]3CC(C1)c1n(C3)c(=O)ccc1)cc(cc2)Br
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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 C23H23BrN4O4 MW 499.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN4O4/c1-32-23(31)22-21(16-8-15(24)5-6-17(16)25-22)26-19(29)12-27-9-13-7-14(11-27)18-3-2-4-20(30)28(18)10-13/h2-6,8,13-14,25H,7,9-12H2,1H3,(H,26,29)/t13-,14?/m0/s1InChIKey
WNFLHMRCNSIPIT-LSLKUGRBSA-NSynonyms
COC(=O)c1(nH)c2c(c1NC(=O)CN1C(C@H)3CC(C1)c1n(C3)c(=O)ccc1)cc(cc2)Br
InChI=1SC23H23BrN4O4c13223(31)2221(16815(24)5617(16)2522)2619(29)1227913714(1127)1832420(30)28(18)1013h268131425H7912H21H3(H2629)t1314?m0s1
methyl5bromo3((((5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)acetyl)amino)1Hindole2carboxylate
methyl5bromo3(2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)acetamido)1Hindole2carboxylate
MFCD03005717
ZINC000100746141
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