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-cyclooctylhexanamide

Catalog ID
STL542010
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCCCC(=O)NC2CCCCCCC2)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 C35H49N3O6 MW 607.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H49N3O6/c1-23(39)37-28-18-16-24-21-31(42-2)34(43-3)35(44-4)33(24)26-17-19-29(30(40)22-27(26)28)36-20-12-8-11-15-32(41)38-25-13-9-6-5-7-10-14-25/h17,19,21-22,25,28H,5-16,18,20H2,1-4H3,(H,36,40)(H,37,39)(H,38,41)/t28-/m0/s1
InChIKey
HMKPGOFWLTXXDG-NDEPHWFRSA-N
Synonyms
1574354-85-0
(S)6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Ncyclooctylhexanamide
1574354850
6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)cyclooctylhexanamide
6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)Ncyclooctylhexanamide
75492092
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCCCC(=O)NC2CCCCCCC2)NC(=O)C)cc(c1OC)OC
InChI=1SC35H49N3O6c123(39)37281816242131(422)34(433)35(444)33(24)26171929(30(40)2227(26)28)3620128111532(41)3825139657101425h171921222528H5161820H214H3(H3640)(H3739)(H3841)t28m0s1
ZINC000108450255
ZINC108450255

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Available files

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