Vitas-M small molecule compound
3-methyl-N-(1-methyl-2-{[(1S)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]methyl}-1H-benzimidazol-5-yl)butanamide
Catalog ID
STL535790
SMILES CC(CC(=O)Nc1ccc2c(c1)nc(n2C)CN1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)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 C25H31N5O2 MW 433.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O2/c1-16(2)9-24(31)26-19-7-8-22-20(11-19)27-23(28(22)3)15-29-12-17-10-18(14-29)21-5-4-6-25(32)30(21)13-17/h4-8,11,16-18H,9-10,12-15H2,1-3H3,(H,26,31)/t17-,18+/m0/s1InChIKey
XTCLAJYYAXZBJU-ZWKOTPCHSA-NSynonyms
3methylN(1methyl2(((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)methyl)1Hbenzo(d)imidazol5yl)butanamide
3methylN(1methyl2(((1S)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)methyl)1Hbenzimidazol5yl)butanamide
CC(CC(=O)Nc1ccc2c(c1)nc(n2C)CN1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C
InChI=1SC25H31N5O2c116(2)924(31)2619782220(1119)2723(28(22)3)152912171018(1429)2154625(32)30(21)1317h48111618H9101215H213H3(H2631)t1718+m0s1
MFCD12030404
ZINC000032124358
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