Vitas-M small molecule compound
(1S,5S)-N-[(2S)-1-{[2-(4-methoxy-1H-indol-1-yl)ethyl]amino}-3-methyl-1-oxobutan-2-yl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL543619
SMILES COc1cccc2c1ccn2CCNC(=O)[C@H](C(C)C)NC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1
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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 C28H35N5O4 MW 505.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35N5O4/c1-18(2)26(27(35)29-11-13-31-12-10-21-23(31)7-4-8-24(21)37-3)30-28(36)32-15-19-14-20(17-32)22-6-5-9-25(34)33(22)16-19/h4-10,12,18-20,26H,11,13-17H2,1-3H3,(H,29,35)(H,30,36)/t19-,20+,26-/m0/s1InChIKey
BXCSFDALFCFWEX-UNVFRBQDSA-NSynonyms
(1R5R)N((S)1((2(4methoxy1Hindol1yl)ethyl)amino)3methyl1oxobutan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)1((2(4methoxy1Hindol1yl)ethyl)amino)3methyl1oxobutan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
COc1cccc2c1ccn2CCNC(=O)(C@H)(C(C)C)NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC28H35N5O4c118(2)26(27(35)2911133112102123(31)74824(21)373)3028(36)3215191420(1732)2265925(34)33(22)1619h41012182026H111317H213H3(H2935)(H3036)t1920+26m0s1
ZINC000225414344
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