Vitas-M small molecule compound

4-({N-[(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g]chromen-3-yl)acetyl]-D-leucyl}amino)butanoic acid

Catalog ID
STK589879
SMILES CC(C[C@H](C(=O)NCCCC(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2)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 C29H36N2O7 MW 524.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N2O7/c1-15(2)12-22(28(35)30-11-7-10-25(33)34)31-24(32)14-20-16(3)19-13-21-18-8-5-6-9-23(18)37-27(21)17(4)26(19)38-29(20)36/h13,15,22H,5-12,14H2,1-4H3,(H,30,35)(H,31,32)(H,33,34)/t22-/m1/s1
InChIKey
HUKGYRRDYFWJMO-JOCHJYFZSA-N
Synonyms
1014041-85-0
(R)4(2(2(411dimethyl2oxo6789tetrahydro2Hbenzofuro(32g)chromen3yl)acetamido)4methylpentanamido)butanoicacid
1014041850
4(((2R)2((2(411dimethyl2oxo6789tetrahydro(1)benzofuro(32g)chromen3yl)acetyl)amino)4methylpentanoyl)amino)butanoicacid
4((N((411dimethyl2oxo6789tetrahydro2H(1)benzofuro(32g)chromen3yl)acetyl)Dleucyl)amino)butanoicacid
CC(C(C@H)(C(=O)NCCCC(=O)O)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2)C
CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2C)CC(=O)NC(CC(C)C)C(=O)NCCCC(=O)O
InChI=1SC29H36N2O7c115(2)1222(28(35)301171025(33)34)3124(32)142016(3)19132118856923(18)3727(21)17(4)26(19)3829(20)36h131522H51214H214H3(H3035)(H3132)(H3334)t22m1s1
MFCD08284450
ZINC000013577137
ZINC13577137

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Available files

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