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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-(1H-1,2,4-triazol-3-yl)phenyl]butanamide

Catalog ID
STL545592
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)Nc2cccc(c2)c2n[nH]cn2)NC(=O)C)cc(c1OC)OC

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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 C33H36N6O6 MW 612.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H36N6O6/c1-19(40)37-25-12-10-20-16-28(43-2)31(44-3)32(45-4)30(20)23-11-13-26(27(41)17-24(23)25)34-14-6-9-29(42)38-22-8-5-7-21(15-22)33-35-18-36-39-33/h5,7-8,11,13,15-18,25H,6,9-10,12,14H2,1-4H3,(H,34,41)(H,37,40)(H,38,42)(H,35,36,39)/t25-/m0/s
InChIKey
UARXPIQEMKTBDA-VWLOTQADSA-N
Synonyms
1574380-30-5
(S)N(3(1H124triazol3yl)phenyl)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamide
1574380305
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3(1~(H)124triazol5yl)phenyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(1H124triazol3yl)phenyl)butanamide
75492121
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2cccc(c2)c2n(nH)cn2)NC(=O)C)cc(c1OC)OC
InChI=1SC33H36N6O6c119(40)37251210201628(432)31(443)32(454)30(20)23111326(27(41)1724(23)25)34146929(42)382285721(1522)333518363933h5781113151825H69101214H214H3(H3441)(H3740)(H3842)(H353639)t25m0s1
ZINC000108450325
ZINC108450325

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Available files

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