Vitas-M small molecule compound
4-chloro-N-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-chromen-3-yl)propanoyl]phenylalanine
Catalog ID
STL464033
SMILES O=C(NC(C(=O)O)Cc1ccc(cc1)Cl)CCc1c(=O)oc2c(c1C)ccc(c2C)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 C23H22ClNO6 MW 443.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClNO6/c1-12-16-7-9-19(26)13(2)21(16)31-23(30)17(12)8-10-20(27)25-18(22(28)29)11-14-3-5-15(24)6-4-14/h3-7,9,18,26H,8,10-11H2,1-2H3,(H,25,27)(H,28,29)InChIKey
KWHODSGTNWCDHR-UHFFFAOYSA-NSynonyms
1214690-60-41214690604
3(4chlorophenyl)2(3(7hydroxy48dimethyl2oxo2Hchromen3yl)propanamido)propanoicacid
3(4CHLOROPHENYL)2(3(7HYDROXY48DIMETHYL2OXOCHROMEN3YL)PROPANOYLAMINO)PROPANOICACID
4chloroN(3(7hydroxy48dimethyl2oxo2Hchromen3yl)propanoyl)phenylalanine
CC1=C(C(=O)OC2=C1C=CC(=C2C)O)CCC(=O)NC(CC3=CC=C(C=C3)Cl)C(=O)O
InChI=1SC23H22ClNO6c112167919(26)13(2)21(16)3123(30)17(12)81020(27)2518(22(28)29)11143515(24)6414h3791826H81011H212H3(H2527)(H2829)
MFCD04144230
ZINC000002155896
ZINC000002155899
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