Vitas-M small molecule compound
(1S,5S)-N-{3-[(4-butoxyphenyl)amino]-3-oxopropyl}-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL542619
SMILES CCCCOc1ccc(cc1)NC(=O)CCNC(=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 C25H32N4O4 MW 452.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O4/c1-2-3-13-33-21-9-7-20(8-10-21)27-23(30)11-12-26-25(32)28-15-18-14-19(17-28)22-5-4-6-24(31)29(22)16-18/h4-10,18-19H,2-3,11-17H2,1H3,(H,26,32)(H,27,30)/t18-,19+/m0/s1InChIKey
BSMBVHDLRNADDY-RBUKOAKNSA-NSynonyms
(1R5R)N(3((4butoxyphenyl)amino)3oxopropyl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N(3((4butoxyphenyl)amino)3oxopropyl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
CCCCOc1ccc(cc1)NC(=O)CCNC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1
InChI=1SC25H32N4O4c1231333219720(81021)2723(30)11122625(32)2815181419(1728)2254624(31)29(22)1618h4101819H231117H21H3(H2632)(H2730)t1819+m0s1
MFCD03850484
ZINC000002092097
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