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-hydroxyethyl)-L-leucinamide

Catalog ID
STL540247
SMILES OCCNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@H](CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)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 C29H39N3O7 MW 541.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H39N3O7/c1-16(2)13-23(29(36)30-11-12-33)32-22-10-8-19-20(15-24(22)35)21(31-17(3)34)9-7-18-14-25(37-4)27(38-5)28(39-6)26(18)19/h8,10,14-16,21,23,33H,7,9,11-13H2,1-6H3,(H,30,36)(H,31,34)(H,32,35)/t21-,23-/m0/s1
InChIKey
ZKAXKKLRADABKU-GMAHTHKFSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2hydroxyethyl)4methylpentanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(2hydroxyethyl)4methylpentanamide
91637710
InChI=1SC29H39N3O7c116(2)1323(29(36)30111233)32221081920(1524(22)35)21(3117(3)34)97181425(374)27(385)28(396)26(18)19h8101416212333H791113H216H3(H3036)(H3134)(H3235)t2123m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2hydroxyethyl)Lleucinamide
OCCNC(=O)(C@@H)(Nc1ccc2c(cc1=O)(C@H)(CCc1c2c(OC)c(c(c1)OC)OC)NC(=O)C)CC(C)C
ZINC000217789190
ZINC217789190

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Available files

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