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

Catalog ID
STL545647
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)Nc1c(C)nn(c1C)C(C)C)C)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 C32H41N5O6 MW 591.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H41N5O6/c1-16(2)37-19(5)29(17(3)36-37)35-32(40)18(4)33-25-13-11-22-23(15-26(25)39)24(34-20(6)38)12-10-21-14-27(41-7)30(42-8)31(43-9)28(21)22/h11,13-16,18,24H,10,12H2,1-9H3,(H,33,39)(H,34,38)(H,35,40)/t18-,24-/m0/s1
InChIKey
BEVYFVGKSDYBFX-UUOWRZLLSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(35dimethyl1propan2ylpyrazol4yl)propanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1isopropyl35dimethyl1Hpyrazol4yl)propanamide
100001186
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)N(C@H)(C(=O)Nc1c(C)nn(c1C)C(C)C)C)NC(=O)C
InChI=1SC32H41N5O6c116(2)3719(5)29(17(3)3637)3532(40)18(4)332513112223(1526(25)39)24(3420(6)38)1210211427(417)30(428)31(439)28(21)22h1113161824H1012H219H3(H3339)(H3438)(H3540)t1824m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(35dimethyl1(propan2yl)1Hpyrazol4yl)Lalaninamide
ZINC000218025616
ZINC218025616

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Available files

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

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