Vitas-M small molecule compound

N-[3-(2,5-dimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl)propanoyl]glycyl-D-isoleucine

Catalog ID
STL534810
SMILES CC[C@@H]([C@H](C(=O)O)NC(=O)CNC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1c1ccccc1)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 C30H32N2O7 MW 532.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N2O7/c1-5-16(2)28(29(35)36)32-26(34)15-31-25(33)12-11-20-17(3)21-13-22-24(14-23(21)39-30(20)37)38-18(4)27(22)19-9-7-6-8-10-19/h6-10,13-14,16,28H,5,11-12,15H2,1-4H3,(H,31,33)(H,32,34)(H,35,36)/t16-,28+/m0/s1
InChIKey
INGUIDALDNAVQZ-DEXQXJORSA-N
Synonyms

(2~(R)3~(S))2((2(3(25dimethyl7oxo3phenylfuro(32g)chromen6yl)propanoylamino)acetyl)amino)3methylpentanoicacid
(2S3R)2(2(3(25dimethyl7oxo3phenyl7Hfuro(32g)chromen6yl)propanamido)acetamido)3methylpentanoicacid
124536477
CC(C@H)((C@@H)(C(=O)O)NC(=O)CNC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1c1ccccc1)C)C
InChI=1SC30H32N2O7c1516(2)28(29(35)36)3226(34)153125(33)12112017(3)21132224(1423(21)3930(20)37)3818(4)27(22)1997681019h61013141628H5111215H214H3(H3133)(H3234)(H3536)t1628+m0s1
N(3(25dimethyl7oxo3phenyl7Hfuro(32g)chromen6yl)propanoyl)glycylDisoleucine
ZINC000104245442

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Available files

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