Vitas-M small molecule compound
methyl 3-({2-[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]propanoyl}amino)-1H-indole-2-carboxylate
Catalog ID
STL526494
SMILES COC(=O)c1[nH]c2c(c1NC(=O)C(N1C[C@H]3C[C@@H](C1)c1n(C3)c(=O)ccc1)C)cccc2
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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 C24H26N4O4 MW 434.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N4O4/c1-14(27-11-15-10-16(13-27)19-8-5-9-20(29)28(19)12-15)23(30)26-21-17-6-3-4-7-18(17)25-22(21)24(31)32-2/h3-9,14-16,25H,10-13H2,1-2H3,(H,26,30)/t14?,15-,16-/m0/s1InChIKey
PSWBNFCDLVFUFQ-YVZMLIKISA-NSynonyms
COC(=O)c1(nH)c2c(c1NC(=O)C(N1C(C@@H)3C(C@H)(C1)c1n(C3)c(=O)ccc1)C)cccc2
InChI=1SC24H26N4O4c114(2711151016(1327)1985920(29)28(19)1215)23(30)262117634718(17)2522(21)24(31)322h39141625H1013H212H3(H2630)t14?1516m0s1
methyl3((2((1S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)propanoyl)amino)1Hindole2carboxylate
methyl3(2((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)propanamido)1Hindole2carboxylate
MFCD02925457
ZINC000104010538
ZINC000104010544
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