Vitas-M small molecule compound
N-[(7S)-1,2,3-trimethoxy-9-oxo-10-({4-oxo-4-[(1S,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]butyl}amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide
Catalog ID
STL540074
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)NC(=O)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 C36H42N4O7 MW 642.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H42N4O7/c1-21(41)38-27-12-10-23-16-31(45-2)35(46-3)36(47-4)34(23)25-11-13-28(30(42)17-26(25)27)37-14-6-9-32(43)39-18-22-15-24(20-39)29-7-5-8-33(44)40(29)19-22/h5,7-8,11,13,16-17,22,24,27H,6,9-10,12,14-15,18-20H2,1-4H3,(H,37,42)(H,38,41)/t22-,2InChIKey
YILSGAWENHRJCV-LLGBQNBKSA-NSynonyms
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)N1C(C@H)2C(C@@H)(C1)c1n(C2)c(=O)ccc1)NC(=O)C
InChI=1SC36H42N4O7c121(41)38271210231631(452)35(463)36(474)34(23)25111328(30(42)1726(25)27)37146932(43)3918221524(2039)2975833(44)40(29)1922h57811131617222427H69101214151820H214H3(H3742)(H3841)t2224+27m0s1
N((7S)123trimethoxy9oxo10((4oxo4((1S5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)butyl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy9oxo10((4oxo4((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)butyl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653555
Check stock
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Check stock on Vitas-MAvailable files
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