Vitas-M small molecule compound

N-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]glycyl-D-isoleucine

Catalog ID
STL464171
SMILES CC[C@@H]([C@H](C(=O)O)NC(=O)CNC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl)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 C20H23ClN2O7 MW 438.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN2O7/c1-4-9(2)18(19(27)28)23-17(26)8-22-16(25)6-12-10(3)11-5-13(21)14(24)7-15(11)30-20(12)29/h5,7,9,18,24H,4,6,8H2,1-3H3,(H,22,25)(H,23,26)(H,27,28)/t9-,18+/m0/s1
InChIKey
PQYGHQYPHFLCAW-NIVTXAMTSA-N
Synonyms

(2R3S)2((2((2(6chloro7hydroxy4methyl2oxochromen3yl)acetyl)amino)acetyl)amino)3methylpentanoicacid
(2S3R)2(2(2(6chloro7hydroxy4methyl2oxo2Hchromen3yl)acetamido)acetamido)3methylpentanoicacid
CC(C@@H)((C@H)(C(=O)O)NC(=O)CNC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl)C
CC(C@H)((C@@H)(C(=O)O)NC(=O)CNC(=O)Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl)C
CCC(C)C(C(=O)O)NC(=O)CNC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)O)Cl)C
InChI=1SC20H23ClN2O7c149(2)18(19(27)28)2317(26)82216(25)61210(3)11513(21)14(24)715(11)3020(12)29h5791824H468H213H3(H2225)(H2326)(H2728)t918+m0s1
MFCD05672822
N((6chloro7hydroxy4methyl2oxo2Hchromen3yl)acetyl)glycylDisoleucine
ZINC000011865613
ZINC11865613

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.