Vitas-M small molecule compound

N~2~-[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]-N-[3-(1,1-dioxido-1,2-thiazinan-2-yl)-4-methoxyphenyl]-L-methioninamide

Catalog ID
STL547405
SMILES CSCC[C@@H](C(=O)Nc1ccc(c(c1)N1CCCCS1(=O)=O)OC)Nc1ccc2c(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 C37H46N4O9S2 MW 754.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H46N4O9S2/c1-22(42)38-27-12-9-23-19-33(48-3)35(49-4)36(50-5)34(23)25-11-13-28(31(43)21-26(25)27)40-29(15-17-51-6)37(44)39-24-10-14-32(47-2)30(20-24)41-16-7-8-18-52(41,45)46/h10-11,13-14,19-21,27,29H,7-9,12,15-18H2,1-6H3,(H,38,42)(H,39,44)(H,40
InChIKey
RPJRIDMNVSPXCW-YTMVLYRLSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3(11dioxothiazinan2yl)4methoxyphenyl)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(11dioxido12thiazinan2yl)4methoxyphenyl)4(methylthio)butanamide
121541803
CSCC(C@@H)(C(=O)Nc1ccc(c(c1)N1CCCCS1(=O)=O)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC37H46N4O9S2c122(42)3827129231933(483)35(494)36(505)34(23)25111328(31(43)2126(25)27)4029(1517516)37(44)3924101432(472)30(2024)4116781852(4145)46h1011131419212729H79121518H216H3(H3842)(H3944)(H4043)t2729m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(11dioxido12thiazinan2yl)4methoxyphenyl)Lmethioninamide
ZINC000263586237
ZINC263586237

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Available files

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