Vitas-M small molecule compound
4-({4-chloro-N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]phenylalanyl}amino)butanoic acid
Catalog ID
STK588949
SMILES O=C(NC(C(=O)NCCCC(=O)O)Cc1ccc(cc1)Cl)CCc1c(=O)oc2c(c1C)cc1c(c2C)occ1C
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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 C30H31ClN2O7 MW 567.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31ClN2O7/c1-16-15-39-27-18(3)28-23(14-22(16)27)17(2)21(30(38)40-28)10-11-25(34)33-24(13-19-6-8-20(31)9-7-19)29(37)32-12-4-5-26(35)36/h6-9,14-15,24H,4-5,10-13H2,1-3H3,(H,32,37)(H,33,34)(H,35,36)InChIKey
XXXWELAEPHBKSQ-UHFFFAOYSA-NSynonyms
1050247-26-11050247261
4((3(4chlorophenyl)2(3(359trimethyl7oxofuro(32g)chromen6yl)propanoylamino)propanoyl)amino)butanoicacid
4((4chloroN(3(359trimethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)phenylalanyl)amino)butanoicacid
4(3(4chlorophenyl)2(3(359trimethyl7oxo7Hfuro(32g)chromen6yl)propanamido)propanamido)butanoicacid
CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)NCCCC(=O)O)C)C
InChI=1SC30H31ClN2O7c11615392718(3)2823(1422(16)27)17(2)21(30(38)4028)101125(34)3324(13196820(31)9719)29(37)32124526(35)36h69141524H451013H213H3(H3237)(H3334)(H3536)
MFCD07206620
ZINC000097957102
ZINC000097957103
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