Vitas-M small molecule compound

N-{[(2,2-dimethyl-6-oxo-3,4,6,7,8,9-hexahydro-2H-cyclopenta[c]pyrano[2,3-h]chromen-10-yl)oxy]acetyl}-L-isoleucine

Catalog ID
STL534174
SMILES CC[C@H]([C@@H](C(=O)O)NC(=O)COc1cc2OC(C)(C)CCc2c2c1c1CCCc1c(=O)o2)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 C25H31NO7 MW 457.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO7/c1-5-13(2)21(23(28)29)26-19(27)12-31-18-11-17-16(9-10-25(3,4)33-17)22-20(18)14-7-6-8-15(14)24(30)32-22/h11,13,21H,5-10,12H2,1-4H3,(H,26,27)(H,28,29)/t13-,21+/m1/s1
InChIKey
WWWHAORSCIZWGJ-ASSNKEHSSA-N
Synonyms
957031-96-8
(2~(S)3~(R))2((2((55dimethyl16oxo617dioxatetracyclo(8700^(27)0^(1115))heptadeca17911(15)tetraen9yl)oxy)acetyl)amino)3methylpentanoicacid
(2S3R)2(2((22dimethyl6oxo346789hexahydro2Hcyclopenta(c)pyrano(23h)chromen10yl)oxy)acetamido)3methylpentanoicacid
16406784
957031968
CC(C@H)((C@@H)(C(=O)O)NC(=O)COc1cc2OC(C)(C)CCc2c2c1c1CCCc1c(=O)o2)C
InChI=1SC25H31NO7c1513(2)21(23(28)29)2619(27)123118111716(91025(34)3317)2220(18)1476815(14)24(30)3222h111321H51012H214H3(H2627)(H2829)t1321+m1s1
MFCD10487871
N(((22dimethyl6oxo346789hexahydro2Hcyclopenta(c)pyrano(23h)chromen10yl)oxy)acetyl)Lisoleucine
ZINC000008877218
ZINC8877218

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Available files

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