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N-[(7S)-1,2,3-trimethoxy-9-oxo-10-({6-oxo-6-[4-(pyrrolidin-1-ylsulfonyl)-1,4-diazepan-1-yl]hexyl}amino)-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL547541
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)N1CCCN(CC1)S(=O)(=O)N1CCCC1)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 C36H51N5O8S MW 713.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H51N5O8S/c1-25(42)38-29-14-12-26-23-32(47-2)35(48-3)36(49-4)34(26)27-13-15-30(31(43)24-28(27)29)37-16-7-5-6-11-33(44)39-17-10-20-41(22-21-39)50(45,46)40-18-8-9-19-40/h13,15,23-24,29H,5-12,14,16-22H2,1-4H3,(H,37,43)(H,38,42)/t29-/m0/s1
InChIKey
KNPNYQIQHQSTDM-LJAQVGFWSA-N
Synonyms

(S)N(123trimethoxy9oxo10((6oxo6(4(pyrrolidin1ylsulfonyl)14diazepan1yl)hexyl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))123trimethoxy9oxo10((6oxo6(4pyrrolidin1ylsulfonyl14diazepan1yl)hexyl)amino)67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121542069
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCCCC(=O)N1CCCN(CC1)S(=O)(=O)N1CCCC1)NC(=O)C
InChI=1SC36H51N5O8Sc125(42)38291412262332(472)35(483)36(494)34(26)27131530(31(43)2428(27)29)37167561133(44)3917102041(222139)50(4546)4018891940h1315232429H512141622H214H3(H3743)(H3842)t29m0s1
N((7S)123trimethoxy9oxo10((6oxo6(4(pyrrolidin1ylsulfonyl)14diazepan1yl)hexyl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263585602
ZINC263585602

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Available files

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