Vitas-M small molecule compound

4-{[(2S)-2-{[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]amino}-2-phenylacetyl]amino}butanoic acid

Catalog ID
STK587504
SMILES O=C(N[C@@H](c1ccccc1)C(=O)NCCCC(=O)O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C(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 C31H34N2O7 MW 546.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34N2O7/c1-18-20(30(38)40-25-16-24-22(15-21(18)25)23(17-39-24)31(2,3)4)12-13-26(34)33-28(19-9-6-5-7-10-19)29(37)32-14-8-11-27(35)36/h5-7,9-10,15-17,28H,8,11-14H2,1-4H3,(H,32,37)(H,33,34)(H,35,36)/t28-/m0/s1
InChIKey
YNTBNYQKYOCBLH-NDEPHWFRSA-N
Synonyms
1014044-00-8
(S)4(2(3(3(tertbutyl)5methyl7oxo7Hfuro(32g)chromen6yl)propanamido)2phenylacetamido)butanoicacid
1014044008
4(((2S)2((3(3tertbutyl5methyl7oxo7Hfuro(32g)chromen6yl)propanoyl)amino)2phenylacetyl)amino)butanoicacid
4(((2S)2(3(3tertbutyl5methyl7oxofuro(32g)chromen6yl)propanoylamino)2phenylacetyl)amino)butanoicacid
CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)NC(C4=CC=CC=C4)C(=O)NCCCC(=O)O
InChI=1SC31H34N2O7c11820(30(38)4025162422(1521(18)25)23(173924)31(23)4)121326(34)3328(1996571019)29(37)321481127(35)36h57910151728H81114H214H3(H3237)(H3334)(H3536)t28m0s1
MFCD08284423
O=C(N(C@@H)(c1ccccc1)C(=O)NCCCC(=O)O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C
ZINC000101369613
ZINC101369613

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Available files

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