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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]glycinamide

Catalog ID
STL543906
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCC(=O)Nc1c(C)nn(c1C)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 C31H39N5O6 MW 577.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N5O6/c1-16(2)36-18(4)29(17(3)35-36)34-27(39)15-32-24-12-10-21-22(14-25(24)38)23(33-19(5)37)11-9-20-13-26(40-6)30(41-7)31(42-8)28(20)21/h10,12-14,16,23H,9,11,15H2,1-8H3,(H,32,38)(H,33,37)(H,34,39)/t23-/m0/s1
InChIKey
ZMHFDABCRSZVDE-QHCPKHFHSA-N
Synonyms
1676111-72-0
(S)2((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1isopropyl35dimethyl1Hpyrazol4yl)acetamide
100002338
1676111720
2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(35dimethyl1propan2ylpyrazol4yl)acetamide
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCC(=O)Nc1c(C)nn(c1C)C(C)C)NC(=O)C
InChI=1SC31H39N5O6c116(2)3618(4)29(17(3)3536)3427(39)15322412102122(1425(24)38)23(3319(5)37)119201326(406)30(417)31(428)28(20)21h1012141623H91115H218H3(H3238)(H3337)(H3439)t23m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(35dimethyl1(propan2yl)1Hpyrazol4yl)glycinamide
ZINC000218055963
ZINC218055963

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Available files

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

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