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

Catalog ID
STL546529
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)N[C@H](C(=O)N1CCCN(CC1)S(=O)(=O)N1CCCC1)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 C33H45N5O8S MW 671.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H45N5O8S/c1-21(33(41)36-13-8-16-38(18-17-36)47(42,43)37-14-6-7-15-37)34-27-12-10-24-25(20-28(27)40)26(35-22(2)39)11-9-23-19-29(44-3)31(45-4)32(46-5)30(23)24/h10,12,19-21,26H,6-9,11,13-18H2,1-5H3,(H,34,40)(H,35,39)/t21-,26-/m0/s1
InChIKey
DXXGXPCETNGPKV-LVXARBLLSA-N
Synonyms

~(N)((7~(S))123trimethoxy9oxo10(((2~(S))1oxo1(4pyrrolidin1ylsulfonyl14diazepan1yl)propan2yl)amino)67dihydro5~(H)benzo(a)heptalen7yl)acetamide
121541348
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)N(C@H)(C(=O)N1CCCN(CC1)S(=O)(=O)N1CCCC1)C)NC(=O)C
InChI=1SC33H45N5O8Sc121(33(41)361381638(181736)47(4243)3714671537)342712102425(2028(27)40)26(3522(2)39)119231929(443)31(454)32(465)30(23)24h1012192126H69111318H215H3(H3440)(H3539)t2126m0s1
N((7S)123trimethoxy9oxo10(((2S)1oxo1(4(pyrrolidin1ylsulfonyl)14diazepan1yl)propan2yl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
N((S)123trimethoxy9oxo10(((S)1oxo1(4(pyrrolidin1ylsulfonyl)14diazepan1yl)propan2yl)amino)5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000263585086
ZINC263585086

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Available files

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