Vitas-M small molecule compound

(2S)-{[(6-chloro-7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)acetyl]amino}(phenyl)ethanoic acid

Catalog ID
STL464401
SMILES O=C(Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl)N[C@@H](c1ccccc1)C(=O)O

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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 C20H16ClNO6 MW 401.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClNO6/c1-10-12-7-14(21)15(23)9-16(12)28-20(27)13(10)8-17(24)22-18(19(25)26)11-5-3-2-4-6-11/h2-7,9,18,23H,8H2,1H3,(H,22,24)(H,25,26)/t18-/m0/s1
InChIKey
BJEDTZOFRGHDDK-SFHVURJKSA-N
Synonyms
956233-31-1
(2S)(((6chloro7hydroxy4methyl2oxo2Hchromen3yl)acetyl)amino)(phenyl)ethanoicacid
(2S)2((2(6CHLORO7HYDROXY4METHYL2OXOCHROMEN3YL)ACETYL)AMINO)2PHENYLACETICACID
(S)2(2(6chloro7hydroxy4methyl2oxo2Hchromen3yl)acetamido)2phenylaceticacid
956233311
CC1=C(C(=O)OC2=CC(=C(C=C12)Cl)O)CC(=O)NC(C3=CC=CC=C3)C(=O)O
InChI=1SC20H16ClNO6c11012714(21)15(23)916(12)2820(27)13(10)817(24)2218(19(25)26)115324611h2791823H8H21H3(H2224)(H2526)t18m0s1
O=C(Cc1c(=O)oc2c(c1C)cc(c(c2)O)Cl)N(C@@H)(c1ccccc1)C(=O)O
ZINC000002117012
ZINC2117012

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Available files

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