Vitas-M small molecule compound

N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-1H-pyrazol-4-yl-L-isoleucinamide

Catalog ID
STL551311
SMILES CC[C@H]([C@@H](C(=O)Nc1c[nH]nc1)Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)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 C30H37N5O6 MW 563.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37N5O6/c1-7-16(2)27(30(38)34-19-14-31-32-15-19)35-23-11-9-20-21(13-24(23)37)22(33-17(3)36)10-8-18-12-25(39-4)28(40-5)29(41-6)26(18)20/h9,11-16,22,27H,7-8,10H2,1-6H3,(H,31,32)(H,33,36)(H,34,38)(H,35,37)/t16-,22+,27+/m1/s1
InChIKey
HZIUHSVJQGHQJZ-AIPAAETGSA-N
Synonyms

(2~(S)3~(R))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)3methyl~(N)(1~(H)pyrazol4yl)pentanamide
(2S3R)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)3methylN(1Hpyrazol4yl)pentanamide
127252729
CC(C@H)((C@@H)(C(=O)Nc1c(nH)nc1)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)C
InChI=1SC30H37N5O6c1716(2)27(30(38)34191431321519)35231192021(1324(23)37)22(3317(3)36)108181225(394)28(405)29(416)26(18)20h911162227H7810H216H3(H3132)(H3336)(H3438)(H3537)t1622+27+m1s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N1Hpyrazol4ylLisoleucinamide
ZINC000604404503
ZINC604404503

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Available files

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