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-(2,4-dimethoxyphenyl)-L-methioninamide

Catalog ID
STL541793
SMILES CSCC[C@@H](C(=O)Nc1ccc(cc1OC)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 C34H41N3O8S MW 651.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H41N3O8S/c1-19(38)35-24-11-8-20-16-30(43-4)32(44-5)33(45-6)31(20)22-10-13-25(28(39)18-23(22)24)36-27(14-15-46-7)34(40)37-26-12-9-21(41-2)17-29(26)42-3/h9-10,12-13,16-18,24,27H,8,11,14-15H2,1-7H3,(H,35,38)(H,36,39)(H,37,40)/t24-,27-/m0/s1
InChIKey
DXJGGEVMIZJZLN-IGKIAQTJSA-N
Synonyms
1574377-84-6
(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(24dimethoxyphenyl)4methylsulfanylbutanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(24dimethoxyphenyl)4(methylthio)butanamide
1574377846
75491301
CSCC(C@@H)(C(=O)Nc1ccc(cc1OC)OC)Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C
InChI=1SC34H41N3O8Sc119(38)3524118201630(434)32(445)33(456)31(20)22101325(28(39)1823(22)24)3627(1415467)34(40)372612921(412)1729(26)423h910121316182427H8111415H217H3(H3538)(H3639)(H3740)t2427m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(24dimethoxyphenyl)Lmethioninamide
ZINC000150653155
ZINC150653155

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Available files

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