Vitas-M small molecule compound
(2S)-phenyl({N-[(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-D-valyl}amino)ethanoic acid
Catalog ID
STL463441
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)N[C@@H](C(=O)N[C@@H](c1ccccc1)C(=O)O)C(C)C
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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 C29H30N2O7 MW 518.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O7/c1-14(2)25(27(33)31-26(28(34)35)18-9-7-6-8-10-18)30-24(32)12-21-16(4)20-11-19-15(3)17(5)37-22(19)13-23(20)38-29(21)36/h6-11,13-14,25-26H,12H2,1-5H3,(H,30,32)(H,31,33)(H,34,35)/t25-,26+/m1/s1InChIKey
HMWJZUXCXLSLJO-FTJBHMTQSA-NSynonyms
(2S)2(((2R)3methyl2((2(235trimethyl7oxofuro(32g)chromen6yl)acetyl)amino)butanoyl)amino)2phenylaceticacid
(2S)phenyl((N((235trimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)Dvalyl)amino)ethanoicacid
(R)2((S)3methyl2(2(235trimethyl7oxo7Hfuro(32g)chromen6yl)acetamido)butanamido)2phenylaceticacid
CC1=C(OC2=C1C=C3C(=C(C(=O)OC3=C2)CC(=O)NC(C(C)C)C(=O)NC(C4=CC=CC=C4)C(=O)O)C)C
InChI=1SC29H30N2O7c114(2)25(27(33)3126(28(34)35)1897681018)3024(32)122116(4)20111915(3)17(5)3722(19)1323(20)3829(21)36h61113142526H12H215H3(H3032)(H3133)(H3435)t2526+m1s1
MFCD06496036
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)N(C@@H)(C(=O)N(C@@H)(c1ccccc1)C(=O)O)C(C)C
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C)N(C@H)(C(=O)N(C@H)(c1ccccc1)C(=O)O)C(C)C
ZINC000011865407
ZINC11865407
Check stock
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Check stock on Vitas-MAvailable files
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