Vitas-M small molecule compound

N-{(7S)-10-[(4-fluorobenzyl)amino]-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide

Catalog ID
STL548785
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCc2ccc(cc2)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 C28H29FN2O5 MW 492.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29FN2O5/c1-16(32)31-22-11-7-18-13-25(34-2)27(35-3)28(36-4)26(18)20-10-12-23(24(33)14-21(20)22)30-15-17-5-8-19(29)9-6-17/h5-6,8-10,12-14,22H,7,11,15H2,1-4H3,(H,30,33)(H,31,32)/t22-/m0/s1
InChIKey
MQJBZTDPGPVHQF-QFIPXVFZSA-N
Synonyms
1212418-57-9
(S)N(10((4fluorobenzyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))10((4fluorophenyl)methylamino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1212418579
6567852
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCc2ccc(cc2)F)NC(=O)C)cc(c1OC)OC
InChI=1SC28H29FN2O5c116(32)3122117181325(342)27(353)28(364)26(18)20101223(24(33)1421(20)22)3015175819(29)9617h56810121422H71115H214H3(H3033)(H3132)t22m0s1
MFCD01543221
N((7S)10((4fluorobenzyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((7S)10((4FLUOROPHENYL)METHYLAMINO)123TRIMETHOXY9OXO67DIHYDRO5HBENZO(A)HEPTALEN7YL)ACETAMIDE
ZINC000008739969
ZINC8739969

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Available files

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