Vitas-M small molecule compound

N-[(7S)-1,2,3-trimethoxy-10-(octylamino)-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL529055
SMILES CCCCCCCCNc1ccc2c(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 C29H40N2O5 MW 496.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H40N2O5/c1-6-7-8-9-10-11-16-30-24-15-13-21-22(18-25(24)33)23(31-19(2)32)14-12-20-17-26(34-3)28(35-4)29(36-5)27(20)21/h13,15,17-18,23H,6-12,14,16H2,1-5H3,(H,30,33)(H,31,32)/t23-/m0/s1
InChIKey
OIVUASWZTXTPGT-QHCPKHFHSA-N
Synonyms
881179-80-2
(S)N(123trimethoxy10(octylamino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))123trimethoxy10(octylamino)9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
16402717
881179802
CCCCCCCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC29H40N2O5c16789101116302415132122(1825(24)33)23(3119(2)32)1412201726(343)28(354)29(365)27(20)21h1315171823H6121416H215H3(H3033)(H3132)t23m0s1
N((7S)123trimethoxy10(octylamino)9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000070692408
ZINC70692408

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Available files

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