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-(dimethylamino)propyl]-L-leucinamide

Catalog ID
STL543571
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCCCN(C)C)CC(C)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 C32H46N4O6 MW 582.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H46N4O6/c1-19(2)16-26(32(39)33-14-9-15-36(4)5)35-25-13-11-22-23(18-27(25)38)24(34-20(3)37)12-10-21-17-28(40-6)30(41-7)31(42-8)29(21)22/h11,13,17-19,24,26H,9-10,12,14-16H2,1-8H3,(H,33,39)(H,34,37)(H,35,38)/t24-,26-/m0/s1
InChIKey
JAHDSYJZWYQVIP-AHWVRZQESA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3(dimethylamino)propyl)4methylpentanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(dimethylamino)propyl)4methylpentanamide
91638480
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCCCN(C)C)CC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC32H46N4O6c119(2)1626(32(39)331491536(4)5)352513112223(1827(25)38)24(3420(3)37)1210211728(406)30(417)31(428)29(21)22h111317192426H910121416H218H3(H3339)(H3437)(H3538)t2426m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(3(dimethylamino)propyl)Lleucinamide
ZINC000217902378
ZINC217902378

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Available files

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