Vitas-M small molecule compound

N-[(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)acetyl]glycyl-L-isoleucyl-N~5~-carbamoyl-L-ornithine

Catalog ID
STL531338
SMILES CC[C@H]([C@@H](C(=O)N[C@H](C(=O)O)CCCNC(=O)N)NC(=O)CNC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C)O)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 C27H37N5O9 MW 575.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37N5O9/c1-5-13(2)22(24(36)31-18(25(37)38)7-6-10-29-27(28)40)32-21(35)12-30-20(34)11-17-14(3)16-8-9-19(33)15(4)23(16)41-26(17)39/h8-9,13,18,22,33H,5-7,10-12H2,1-4H3,(H,30,34)(H,31,36)(H,32,35)(H,37,38)(H3,28,29,40)/t13-,18+,22+/m1/s1
InChIKey
GYRJKBFTMANQEI-JCHSIQAQSA-N
Synonyms
956937-57-8
(2~(S))5(carbamoylamino)2(((2~(S)3~(R))2((2((2(7hydroxy48dimethyl2oxochromen3yl)acetyl)amino)acetyl)amino)3methylpentanoyl)amino)pentanoicacid
(S)2((2S3R)2(2(2(7HYDROXY48DIMETHYL2OXO2HCHROMEN3YL)ACETAMIDO)ACETAMIDO)3METHYLPENTANAMIDO)5UREIDOPENTANOICACID
16406211
956937578
CC(C@H)((C@@H)(C(=O)N(C@H)(C(=O)O)CCCNC(=O)N)NC(=O)CNC(=O)Cc1c(=O)oc2c(c1C)ccc(c2C)O)C
InChI=1SC27H37N5O9c1513(2)22(24(36)3118(25(37)38)76102927(28)40)3221(35)123020(34)111714(3)168919(33)15(4)23(16)4126(17)39h8913182233H571012H214H3(H3034)(H3136)(H3235)(H3738)(H3282940)t1318+22+m1s1
N((7hydroxy48dimethyl2oxo2Hchromen3yl)acetyl)glycylLisoleucylN~5~carbamoylLornithine
N((7HYDROXY48DIMETHYL2OXO2HCHROMEN3YL)ACETYL)GLYCYLLISOLEUCYLN5CARBAMOYLLORNITHINE
ZINC000070707215
ZINC70707215

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Available files

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