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-phenylalanyl}amino)butanoic acid

Catalog ID
STK579666
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2)N[C@@H](C(=O)NCCCC(=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 C32H34N2O7 MW 558.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O7/c1-18-22-16-24-21-11-6-7-12-26(21)40-30(24)19(2)29(22)41-32(39)23(18)17-27(35)34-25(15-20-9-4-3-5-10-20)31(38)33-14-8-13-28(36)37/h3-5,9-10,16,25H,6-8,11-15,17H2,1-2H3,(H,33,38)(H,34,35)(H,36,37)/t25-/m1/s1
InChIKey
VKWQGEPUBLRFGS-RUZDIDTESA-N
Synonyms
1014002-94-8
(R)4(2(2(411dimethyl2oxo6789tetrahydro2Hbenzofuro(32g)chromen3yl)acetamido)3phenylpropanamido)butanoicacid
1014002948
4(((2R)2((2(411dimethyl2oxo6789tetrahydro(1)benzofuro(32g)chromen3yl)acetyl)amino)3phenylpropanoyl)amino)butanoicacid
4((N((411dimethyl2oxo6789tetrahydro2H(1)benzofuro(32g)chromen3yl)acetyl)Dphenylalanyl)amino)butanoicacid
CC1=C(C(=O)OC2=C1C=C3C4=C(CCCC4)OC3=C2C)CC(=O)NC(CC5=CC=CC=C5)C(=O)NCCCC(=O)O
InChI=1SC32H34N2O7c1182216242111671226(21)4030(24)19(2)29(22)4132(39)23(18)1727(35)3425(152094351020)31(38)331481328(36)37h359101625H68111517H212H3(H3338)(H3435)(H3637)t25m1s1
MFCD08284399
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc2c1CCCC2)N(C@@H)(C(=O)NCCCC(=O)O)Cc1ccccc1
ZINC000097956942
ZINC97956942

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Available files

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