Vitas-M small molecule compound
4-({4-chloro-N-[(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]phenylalanyl}amino)butanoic acid
Catalog ID
STK589181
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C)NC(C(=O)NCCCC(=O)O)Cc1ccc(cc1)Cl
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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 C29H29ClN2O7 MW 553.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29ClN2O7/c1-15-14-38-26-17(3)27-21(12-20(15)26)16(2)22(29(37)39-27)13-24(33)32-23(11-18-6-8-19(30)9-7-18)28(36)31-10-4-5-25(34)35/h6-9,12,14,23H,4-5,10-11,13H2,1-3H3,(H,31,36)(H,32,33)(H,34,35)InChIKey
KSKLEJXOGIYFFD-UHFFFAOYSA-NSynonyms
1050233-73-21050233732
4((3(4chlorophenyl)2((2(359trimethyl7oxofuro(32g)chromen6yl)acetyl)amino)propanoyl)amino)butanoicacid
4((4chloroN((359trimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)phenylalanyl)amino)butanoicacid
4(3(4chlorophenyl)2(2(359trimethyl7oxo7Hfuro(32g)chromen6yl)acetamido)propanamido)butanoicacid
CC1=COC2=C(C3=C(C=C12)C(=C(C(=O)O3)CC(=O)NC(CC4=CC=C(C=C4)Cl)C(=O)NCCCC(=O)O)C)C
InChI=1SC29H29ClN2O7c11514382617(3)2721(1220(15)26)16(2)22(29(37)3927)1324(33)3223(11186819(30)9718)28(36)31104525(34)35h69121423H45101113H213H3(H3136)(H3233)(H3435)
MFCD07207742
ZINC000097957022
ZINC000097957023
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