Vitas-M small molecule compound

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

Catalog ID
STL463445
SMILES CC[C@@H]([C@H](C(=O)O)NC(=O)CNC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C)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 C24H28N2O7 MW 456.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O7/c1-5-12(2)22(23(29)30)26-21(28)10-25-20(27)7-6-15-14(4)17-8-16-13(3)11-32-18(16)9-19(17)33-24(15)31/h8-9,11-12,22H,5-7,10H2,1-4H3,(H,25,27)(H,26,28)(H,29,30)/t12-,22+/m0/s1
InChIKey
OBLHLIOOHYDCRI-AMXDTQDGSA-N
Synonyms

(2R3S)2((2(3(35dimethyl7oxofuro(32g)chromen6yl)propanoylamino)acetyl)amino)3methylpentanoicacid
(2S3R)2(2(3(35dimethyl7oxo7Hfuro(32g)chromen6yl)propanamido)acetamido)3methylpentanoicacid
CC(C@@H)((C@H)(C(=O)O)NC(=O)CNC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C)C
CC(C@H)((C@@H)(C(=O)O)NC(=O)CNC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C)C
CCC(C)C(C(=O)O)NC(=O)CNC(=O)CCC1=C(C2=C(C=C3C(=C2)C(=CO3)C)OC1=O)C
InChI=1SC24H28N2O7c1512(2)22(23(29)30)2621(28)102520(27)761514(4)1781613(3)113218(16)919(17)3324(15)31h89111222H5710H214H3(H2527)(H2628)(H2930)t1222+m0s1
MFCD06495148
N(3(35dimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)glycylDisoleucine
ZINC000011865411
ZINC11865411

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Available files

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