Vitas-M small molecule compound

4-({N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-L-isoleucyl}amino)butanoic acid

Catalog ID
STK586529
SMILES CC[C@H]([C@@H](C(=O)NCCCC(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)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 C29H38N2O7 MW 526.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H38N2O7/c1-8-15(2)24(27(35)30-11-9-10-23(33)34)31-22(32)13-19-16(3)18-12-20-21(29(5,6)7)14-37-25(20)17(4)26(18)38-28(19)36/h12,14-15,24H,8-11,13H2,1-7H3,(H,30,35)(H,31,32)(H,33,34)/t15-,24+/m1/s1
InChIKey
PEMNGVOYTFRWRD-MYYSRTQBSA-N
Synonyms
1014044-21-3
1014044213
4(((2S3R)2((2(3tertbutyl59dimethyl7oxofuro(32g)chromen6yl)acetyl)amino)3methylpentanoyl)amino)butanoicacid
4((2S3R)2(2(3(tertbutyl)59dimethyl7oxo7Hfuro(32g)chromen6yl)acetamido)3methylpentanamido)butanoicacid
4((N((3tertbutyl59dimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)Lisoleucyl)amino)butanoicacid
CC(C@H)((C@@H)(C(=O)NCCCC(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)C
CCC(C)C(C(=O)NCCCC(=O)O)NC(=O)CC1=C(C2=C(C(=C3C(=C2)C(=CO3)C(C)(C)C)C)OC1=O)C
InChI=1SC29H38N2O7c1815(2)24(27(35)301191023(33)34)3122(32)131916(3)18122021(29(56)7)143725(20)17(4)26(18)3828(19)36h12141524H81113H217H3(H3035)(H3132)(H3334)t1524+m1s1
MFCD18245801
ZINC000013591437
ZINC13591437

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Available files

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