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N~2~-[7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]glycinamide

Catalog ID
STL511586
SMILES COc1c2c(CCC(c3c2ccc(c(=O)c3)NCC(=O)Nc2nc3c(s2)cc(cc3)OC(F)(F)F)NC(=O)C)cc(c1OC)OC

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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 C31H29F3N4O7S MW 658.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29F3N4O7S/c1-15(39)36-20-8-5-16-11-24(42-2)28(43-3)29(44-4)27(16)18-7-10-21(23(40)13-19(18)20)35-14-26(41)38-30-37-22-9-6-17(12-25(22)46-30)45-31(32,33)34/h6-7,9-13,20H,5,8,14H2,1-4H3,(H,35,40)(H,36,39)(H,37,38,41)
InChIKey
XBQNMGKLHUXBDA-UHFFFAOYSA-N
Synonyms

(S)2((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(6(trifluoromethoxy)benzo(d)thiazol2yl)acetamide
135638025
2((7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(6(trifluoromethoxy)13benzothiazol2yl)acetamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCC(=O)Nc2nc3c(s2)cc(cc3)OC(F)(F)F)NC(=O)C)cc(c1OC)OC
InChI=1SC31H29F3N4O7Sc115(39)362085161124(422)28(433)29(444)27(16)1871021(23(40)1319(18)20)351426(41)383037229617(1225(22)4630)4531(3233)34h6791320H5814H214H3(H3540)(H3639)(H373841)
MFCD31751712
N~2~(7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(6(trifluoromethoxy)13benzothiazol2yl)glycinamide
ZINC000218026972
ZINC000504242417

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Available files

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

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