Vitas-M small molecule compound
N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}-D-phenylalanine
Catalog ID
STL464061
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)C)N[C@@H](C(=O)O)Cc1ccccc1
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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 C30H25NO6 MW 495.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25NO6/c1-17-8-10-20(11-9-17)24-16-36-26-15-27-21(13-23(24)26)18(2)22(30(35)37-27)14-28(32)31-25(29(33)34)12-19-6-4-3-5-7-19/h3-11,13,15-16,25H,12,14H2,1-2H3,(H,31,32)(H,33,34)/t25-/m1/s1InChIKey
KRICIHIHWBROPF-RUZDIDTESA-NSynonyms
(2R)2((2(5methyl3(4methylphenyl)7oxofuro(32g)chromen6yl)acetyl)amino)3phenylpropanoicacid
(S)2(2(5methyl7oxo3(ptolyl)7Hfuro(32g)chromen6yl)acetamido)3phenylpropanoicacid
CC1=CC=C(C=C1)C2=COC3=CC4=C(C=C32)C(=C(C(=O)O4)CC(=O)NC(CC5=CC=CC=C5)C(=O)O)C
InChI=1SC30H25NO6c11781020(11917)24163626152721(1323(24)26)18(2)22(30(35)3727)1428(32)3125(29(33)34)12196435719h31113151625H1214H212H3(H3132)(H3334)t25m1s1
MFCD06495702
N((5methyl3(4methylphenyl)7oxo7Hfuro(32g)chromen6yl)acetyl)Dphenylalanine
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)C)N(C@@H)(C(=O)O)Cc1ccccc1
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)C)N(C@H)(C(=O)O)Cc1ccccc1
ZINC000011865569
ZINC11865569
Check stock
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Check stock on Vitas-MAvailable files
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