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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-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-benzimidazol-5-yl}butanamide

Catalog ID
STL550906
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc3c(c2)nc(n3C)CN2CCN(CC2)C)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 C39H49N7O6 MW 711.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C39H49N7O6/c1-24(47)41-29-12-9-25-20-34(50-4)38(51-5)39(52-6)37(25)27-11-13-30(33(48)22-28(27)29)40-15-7-8-36(49)42-26-10-14-32-31(21-26)43-35(45(32)3)23-46-18-16-44(2)17-19-46/h10-11,13-14,20-22,29H,7-9,12,15-19,23H2,1-6H3,(H,40,48)(H,41,47)(H,4
InChIKey
HSPMLDPHEFJDDU-LJAQVGFWSA-N
Synonyms

(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1methyl2((4methylpiperazin1yl)methyl)1Hbenzo(d)imidazol5yl)butanamide
127253526
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(1methyl2((4methylpiperazin1yl)methyl)benzimidazol5yl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(1methyl2((4methylpiperazin1yl)methyl)1Hbenzimidazol5yl)butanamide
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)Nc2ccc3c(c2)nc(n3C)CN2CCN(CC2)C)NC(=O)C)cc(c1OC)OC
InChI=1SC39H49N7O6c124(47)4129129252034(504)38(515)39(526)37(25)27111330(33(48)2228(27)29)40157836(49)422610143231(2126)4335(45(32)3)2346181644(2)171946h10111314202229H7912151923H216H3(H4048)(H4147)(H4249)t29m0s1
ZINC000604403998
ZINC604403998

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Available files

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