Vitas-M small molecule compound
(1S,5S)-N-[(2S)-1-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-1-oxo-3-phenylpropan-2-yl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL538087
SMILES O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)N[C@H](C(=O)NCCC1=CCCCC1)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 C29H36N4O3 MW 488.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N4O3/c34-27-13-7-12-26-24-16-23(19-33(26)27)18-32(20-24)29(36)31-25(17-22-10-5-2-6-11-22)28(35)30-15-14-21-8-3-1-4-9-21/h2,5-8,10-13,23-25H,1,3-4,9,14-20H2,(H,30,35)(H,31,36)/t23-,24+,25-/m0/s1InChIKey
YJBNCAUHIBSSBV-GVAUOCQISA-NSynonyms
(1R5R)N((S)1((2(cyclohex1en1yl)ethyl)amino)1oxo3phenylpropan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)1((2(cyclohex1en1yl)ethyl)amino)1oxo3phenylpropan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
InChI=1SC29H36N4O3c34271371226241623(1933(26)27)1832(2024)29(36)3125(1722105261122)28(35)301514218314921h25810132325H13491420H2(H3035)(H3136)t2324+25m0s1
O=C(N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)N(C@H)(C(=O)NCCC1=CCCCC1)Cc1ccccc1
ZINC000002091560
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