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-hydroxyphenyl)ethyl]-L-alaninamide

Catalog ID
STL542806
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)N[C@H](C(=O)NCCc2ccc(cc2)O)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 C32H37N3O7 MW 575.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37N3O7/c1-18(32(39)33-15-14-20-6-9-22(37)10-7-20)34-26-13-11-23-24(17-27(26)38)25(35-19(2)36)12-8-21-16-28(40-3)30(41-4)31(42-5)29(21)23/h6-7,9-11,13,16-18,25,37H,8,12,14-15H2,1-5H3,(H,33,39)(H,34,38)(H,35,36)/t18-,25-/m0/s1
InChIKey
UHMCDLKJUJKJGD-BVZFJXPGSA-N
Synonyms

(2~(S))2(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(2(4hydroxyphenyl)ethyl)propanamide
(S)2(((S)7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(4hydroxyphenethyl)propanamide
110206967
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)N(C@H)(C(=O)NCCc2ccc(cc2)O)C)NC(=O)C)cc(c1OC)OC
InChI=1SC32H37N3O7c118(32(39)331514206922(37)10720)342613112324(1727(26)38)25(3519(2)36)128211628(403)30(414)31(425)29(21)23h679111316182537H8121415H215H3(H3339)(H3438)(H3536)t1825m0s1
N~2~((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)N(2(4hydroxyphenyl)ethyl)Lalaninamide
ZINC000253413262
ZINC253413262

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Available files

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