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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-(1H-benzimidazol-2-ylmethyl)butanamide

Catalog ID
STL549491
SMILES COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1[C@H](CC2)NC(=O)C)NCCCC(=O)NCc1nc2c([nH]1)cccc2

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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 C33H37N5O6 MW 599.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H37N5O6/c1-19(39)36-23-13-11-20-16-28(42-2)32(43-3)33(44-4)31(20)21-12-14-26(27(40)17-22(21)23)34-15-7-10-30(41)35-18-29-37-24-8-5-6-9-25(24)38-29/h5-6,8-9,12,14,16-17,23H,7,10-11,13,15,18H2,1-4H3,(H,34,40)(H,35,41)(H,36,39)(H,37,38)/t23-/m0/s
InChIKey
RJHFXTYBWCEGGM-QHCPKHFHSA-N
Synonyms

(S)N((1Hbenzo(d)imidazol2yl)methyl)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)butanamide
127252661
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1~(H)benzimidazol2ylmethyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1Hbenzimidazol2ylmethyl)butanamide
COc1c(OC)cc2c(c1OC)c1ccc(c(=O)cc1(C@H)(CC2)NC(=O)C)NCCCC(=O)NCc1nc2c((nH)1)cccc2
InChI=1SC33H37N5O6c119(39)36231311201628(422)32(433)33(444)31(20)21121426(27(40)1722(21)23)341571030(41)3518293724856925(24)3829h56891214161723H71011131518H214H3(H3440)(H3541)(H3639)(H3738)t23m0s1
ZINC000604405361
ZINC604405361

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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