Vitas-M small molecule compound
(1S,5S)-N-[(2S)-3-methyl-1-oxo-1-{[4-(propan-2-yl)phenyl]amino}butan-2-yl]-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carboxamide
Catalog ID
STL537821
SMILES CC(c1ccc(cc1)NC(=O)[C@H](C(C)C)NC(=O)N1C[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 C26H34N4O3 MW 450.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N4O3/c1-16(2)19-8-10-21(11-9-19)27-25(32)24(17(3)4)28-26(33)29-13-18-12-20(15-29)22-6-5-7-23(31)30(22)14-18/h5-11,16-18,20,24H,12-15H2,1-4H3,(H,27,32)(H,28,33)/t18-,20+,24-/m0/s1InChIKey
SJSFEKLGSJHLFZ-NRYAXDJKSA-NSynonyms
(1R5R)N((S)1((4isopropylphenyl)amino)3methyl1oxobutan2yl)8oxo4568tetrahydro1H15methanopyrido(12a)(15)diazocine3(2H)carboxamide
(1S5S)N((2S)3methyl1oxo1((4(propan2yl)phenyl)amino)butan2yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carboxamide
CC(c1ccc(cc1)NC(=O)(C@H)(C(C)C)NC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)C
InChI=1SC26H34N4O3c116(2)1981021(11919)2725(32)24(17(3)4)2826(33)2913181220(1529)2265723(31)30(22)1418h51116182024H1215H214H3(H2732)(H2833)t1820+24m0s1
ZINC000002096283
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