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6-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-[4-(1,1-dioxido-1,2-thiazinan-2-yl)-3-methoxyphenyl]hexanamide

Catalog ID
STL549651
SMILES COc1cc(ccc1N1CCCCS1(=O)=O)NC(=O)CCCCCNc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)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 C38H48N4O9S MW 736.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H48N4O9S/c1-24(43)40-29-15-12-25-21-34(49-3)37(50-4)38(51-5)36(25)27-14-16-30(32(44)23-28(27)29)39-18-8-6-7-11-35(45)41-26-13-17-31(33(22-26)48-2)42-19-9-10-20-52(42,46)47/h13-14,16-17,21-23,29H,6-12,15,18-20H2,1-5H3,(H,39,44)(H,40,43)(H,41,45
InChIKey
DGXHFPMRFBFVQA-LJAQVGFWSA-N
Synonyms

(S)6((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4(11dioxido12thiazinan2yl)3methoxyphenyl)hexanamide
125429562
6(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(4(11dioxothiazinan2yl)3methoxyphenyl)hexanamide
6(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4(11dioxido12thiazinan2yl)3methoxyphenyl)hexanamide
COc1cc(ccc1N1CCCCS1(=O)=O)NC(=O)CCCCCNc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC38H48N4O9Sc124(43)40291512252134(493)37(504)38(515)36(25)27141630(32(44)2328(27)29)39188671135(45)4126131731(33(2226)482)42199102052(4246)47h13141617212329H612151820H215H3(H3944)(H4043)(H4145)t29m0s1
ZINC000524730949
ZINC524730949

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Available files

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