Vitas-M small molecule compound
N-{[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}-D-phenylalanine
Catalog ID
STL464036
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)Br)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 C29H22BrNO6 MW 560.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22BrNO6/c1-16-20-12-22-23(18-7-9-19(30)10-8-18)15-36-25(22)14-26(20)37-29(35)21(16)13-27(32)31-24(28(33)34)11-17-5-3-2-4-6-17/h2-10,12,14-15,24H,11,13H2,1H3,(H,31,32)(H,33,34)/t24-/m1/s1InChIKey
SIOGJNCABIQLCQ-XMMPIXPASA-NSynonyms
(2R)2((2(3(4bromophenyl)5methyl7oxofuro(32g)chromen6yl)acetyl)amino)3phenylpropanoicacid
(S)2(2(3(4bromophenyl)5methyl7oxo7Hfuro(32g)chromen6yl)acetamido)3phenylpropanoicacid
CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=C(C=C4)Br)CC(=O)NC(CC5=CC=CC=C5)C(=O)O
InChI=1SC29H22BrNO6c11620122223(187919(30)10818)153625(22)1426(20)3729(35)21(16)1327(32)3124(28(33)34)11175324617h21012141524H1113H21H3(H3132)(H3334)t24m1s1
MFCD06494003
N((3(4bromophenyl)5methyl7oxo7Hfuro(32g)chromen6yl)acetyl)Dphenylalanine
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)Br)N(C@@H)(C(=O)O)Cc1ccccc1
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)Br)N(C@H)(C(=O)O)Cc1ccccc1
ZINC000101968768
ZINC101968768
Check stock
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Check stock on Vitas-MAvailable files
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