Vitas-M small molecule compound
1-benzyl-3-{carboxy[(1S,5S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1H-indole-5-carboxylic acid
Catalog ID
STL536288
SMILES OC(=O)c1ccc2c(c1)c(cn2Cc1ccccc1)C(N1C[C@@H]2C[C@H](C1)c1n(C2)c(=O)ccc1)C(=O)O
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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 C29H27N3O5 MW 497.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H27N3O5/c33-26-8-4-7-24-21-11-19(15-32(24)26)14-31(16-21)27(29(36)37)23-17-30(13-18-5-2-1-3-6-18)25-10-9-20(28(34)35)12-22(23)25/h1-10,12,17,19,21,27H,11,13-16H2,(H,34,35)(H,36,37)/t19-,21+,27?/m1/s1InChIKey
ZICYIJHPNSQZML-VBAFDDNDSA-NSynonyms
1benzyl3(carboxy((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)1Hindole5carboxylicacid
1benzyl3(carboxy((1S5S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)1Hindole5carboxylicacid
InChI=1SC29H27N3O5c332684724211119(1532(24)26)1431(1621)27(29(36)37)231730(13185213618)2510920(28(34)35)1222(23)25h1101217192127H111316H2(H3435)(H3637)t1921+27?m1s1
OC(=O)c1ccc2c(c1)c(cn2Cc1ccccc1)C(N1C(C@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)C(=O)O
ZINC000100793590
ZINC000100793595
Check stock
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Check stock on Vitas-MAvailable files
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