Vitas-M small molecule compound

6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(7-methoxyquinolin-3-yl)hexanamide

Catalog ID
STL540466
SMILES COc1ccc2c(c1)ncc(c2)NC(=O)CCCCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)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 C37H42N4O7 MW 654.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H42N4O7/c1-22(42)40-29-14-11-24-18-33(46-3)36(47-4)37(48-5)35(24)27-13-15-30(32(43)20-28(27)29)38-16-8-6-7-9-34(44)41-25-17-23-10-12-26(45-2)19-31(23)39-21-25/h10,12-13,15,17-21,29H,6-9,11,14,16H2,1-5H3,(H,38,43)(H,40,42)(H,41,44)/t29-/m0/s1
InChIKey
RGMCVFLZNIEZDP-LJAQVGFWSA-N
Synonyms
1574354-37-2
(S)6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(7methoxyquinolin3yl)hexanamide
1574354372
6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(7methoxyquinolin3yl)hexanamide
6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(7methoxyquinolin3yl)hexanamide
75491839
COc1ccc2c(c1)ncc(c2)NC(=O)CCCCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H42N4O7c122(42)40291411241833(463)36(474)37(485)35(24)27131530(32(43)2028(27)29)3816867934(44)41251723101226(452)1931(23)392125h10121315172129H69111416H215H3(H3843)(H4042)(H4144)t29m0s1
ZINC000150653494
ZINC150653494

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.