Vitas-M small molecule compound
(1S,5S)-8-oxo-N-[(2S)-1-oxo-1-(pentylamino)-3-phenylpropan-2-yl]-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL537054
SMILES CCCCCNC(=O)[C@@H](NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
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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 C26H34N4O3 MW 450.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N4O3/c1-2-3-7-13-27-25(32)22(15-19-9-5-4-6-10-19)28-26(33)29-16-20-14-21(18-29)23-11-8-12-24(31)30(23)17-20/h4-6,8-12,20-22H,2-3,7,13-18H2,1H3,(H,27,32)(H,28,33)/t20-,21+,22-/m0/s1InChIKey
CHOGDCRJNDVTJI-BDTNDASRSA-NSynonyms
(1R5R)8oxoN((S)1oxo1(pentylamino)3phenylpropan2yl)4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)8oxoN((2S)1oxo1(pentylamino)3phenylpropan2yl)1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
CCCCCNC(=O)(C@@H)(NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)Cc1ccccc1
InChI=1SC26H34N4O3c1237132725(32)22(151995461019)2826(33)2916201421(1829)231181224(31)30(23)1720h468122022H2371318H21H3(H2732)(H2833)t2021+22m0s1
ZINC000002096491
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