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4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-{3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl}butanamide

Catalog ID
STL546605
SMILES COCc1[nH]nc(n1)c1cccc(c1)NC(=O)CCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)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 C35H40N6O7 MW 656.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N6O7/c1-20(42)37-26-13-11-21-17-29(46-3)33(47-4)34(48-5)32(21)24-12-14-27(28(43)18-25(24)26)36-15-7-10-31(44)38-23-9-6-8-22(16-23)35-39-30(19-45-2)40-41-35/h6,8-9,12,14,16-18,26H,7,10-11,13,15,19H2,1-5H3,(H,36,43)(H,37,42)(H,38,44)(H,39,40,
InChIKey
GQTAJNGIRSQSGM-SANMLTNESA-N
Synonyms
1676111-84-4
(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(3(methoxymethyl)1H124triazol5yl)phenyl)butanamide
1676111844
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3(5(methoxymethyl)1~(H)124triazol3yl)phenyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(5(methoxymethyl)1H124triazol3yl)phenyl)butanamide
99998807
COCc1n(nH)c(n1)c1cccc(c1)NC(=O)CCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC35H40N6O7c120(42)37261311211729(463)33(474)34(485)32(21)24121427(28(43)1825(24)26)361571031(44)382396822(1623)353930(19452)404135h6891214161826H71011131519H215H3(H3643)(H3742)(H3844)(H394041)t26m0s1
ZINC000217969823
ZINC217969823

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Available files

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