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N-[(7S)-10-({2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl}amino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide

Catalog ID
STL540370
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCC(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)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 C35H40N4O8 MW 644.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40N4O8/c1-21(40)37-26-8-6-23-16-31(43-2)34(44-3)35(45-4)33(23)24-7-9-27(28(41)17-25(24)26)36-18-32(42)39-13-11-38(12-14-39)19-22-5-10-29-30(15-22)47-20-46-29/h5,7,9-10,15-17,26H,6,8,11-14,18-20H2,1-4H3,(H,36,41)(H,37,40)/t26-/m0/s1
InChIKey
UQHLSWRLHYAKDL-SANMLTNESA-N
Synonyms
1574355-33-1
(S)N(10((2(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)2oxoethyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
~(N)((7~(S))10((2(4(13benzodioxol5ylmethyl)piperazin1yl)2oxoethyl)amino)123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen7yl)acetamide
1574355331
75491396
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCC(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)NC(=O)C
InChI=1SC35H40N4O8c121(40)372686231631(432)34(443)35(454)33(23)247927(28(41)1725(24)26)361832(42)39131138(121439)19225102930(1522)47204629h57910151726H6811141820H214H3(H3641)(H3740)t26m0s1
N((7S)10((2(4(13benzodioxol5ylmethyl)piperazin1yl)2oxoethyl)amino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen7yl)acetamide
ZINC000150653220
ZINC150653220

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Available files

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