Vitas-M small molecule compound

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

Catalog ID
STL532332
SMILES O=C(N[C@@H](C(=O)NCCCC(=O)O)Cc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2

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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 C32H34N2O7 MW 558.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O7/c1-19-21(32(39)41-27-18-28-24(17-23(19)27)22-10-5-6-11-26(22)40-28)13-14-29(35)34-25(16-20-8-3-2-4-9-20)31(38)33-15-7-12-30(36)37/h2-4,8-9,17-18,25H,5-7,10-16H2,1H3,(H,33,38)(H,34,35)(H,36,37)/t25-/m1/s1
InChIKey
FGNUMCKQRURSHV-RUZDIDTESA-N
Synonyms
957038-83-4
(R)4(2(3(4methyl2oxo6789tetrahydro2Hbenzofuro(32g)chromen3yl)propanamido)3phenylpropanamido)butanoicacid
16405454
4(((2~(R))2(3(4methyl2oxo6789tetrahydro(1)benzofuro(32g)chromen3yl)propanoylamino)3phenylpropanoyl)amino)butanoicacid
4((N(3(4methyl2oxo6789tetrahydro2H(1)benzofuro(32g)chromen3yl)propanoyl)Dphenylalanyl)amino)butanoicacid
957038834
InChI=1SC32H34N2O7c11921(32(39)4127182824(1723(19)27)2210561126(22)4028)131429(35)3425(16208324920)31(38)331571230(36)37h2489171825H571016H21H3(H3338)(H3435)(H3637)t25m1s1
MFCD08002403
O=C(N(C@@H)(C(=O)NCCCC(=O)O)Cc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2)oc2c1CCCC2
ZINC000070704638
ZINC70704638

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.