Vitas-M small molecule compound

N~5~-carbamoyl-N~2~-[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]-D-ornithine

Catalog ID
STL462741
SMILES O=C(Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl)N[C@@H](C(=O)O)CCCNC(=O)N

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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 C18H20ClN3O7 MW 425.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClN3O7/c1-8-9-5-11(19)13(23)7-14(9)29-17(27)10(8)6-15(24)22-12(16(25)26)3-2-4-21-18(20)28/h5,7,12,23H,2-4,6H2,1H3,(H,22,24)(H,25,26)(H3,20,21,28)/t12-/m1/s1
InChIKey
UQZGQPSBIROLEM-GFCCVEGCSA-N
Synonyms

(2R)5(carbamoylamino)2((2(6chloro7hydroxy4methyl2oxochromen3yl)acetyl)amino)pentanoicacid
(S)2(2(6chloro7hydroxy4methyl2oxo2Hchromen3yl)acetamido)5ureidopentanoicacid
CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)NC(CCCNC(=O)N)C(=O)O
InChI=1SC18H20ClN3O7c189511(19)13(23)714(9)2917(27)10(8)615(24)2212(16(25)26)3242118(20)28h571223H246H21H3(H2224)(H2526)(H3202128)t12m1s1
N~5~carbamoylN~2~((6chloro7hydroxy4methyl2oxo2Hchromen3yl)acetyl)Dornithine
N5CARBAMOYLN2((6CHLORO7HYDROXY4METHYL2OXO2HCHROMEN3YL)ACETYL)DORNITHINE
O=C(Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl)N(C@@H)(C(=O)O)CCCNC(=O)N
O=C(Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl)N(C@H)(C(=O)O)CCCNC(=O)N
ZINC000011867573
ZINC11867573

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Available files

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