Vitas-M small molecule compound

S-benzyl-N-[3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-D-cysteine

Catalog ID
STL536475
SMILES O=C(N[C@@H](C(=O)O)CSCc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)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 C28H29NO6S MW 507.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29NO6S/c1-15-18(4)34-25-17(3)26-22(12-21(15)25)16(2)20(28(33)35-26)10-11-24(30)29-23(27(31)32)14-36-13-19-8-6-5-7-9-19/h5-9,12,23H,10-11,13-14H2,1-4H3,(H,29,30)(H,31,32)/t23-/m1/s1
InChIKey
ZQJVCDTZVBJKPI-HSZRJFAPSA-N
Synonyms

(2~(S))3benzylsulfanyl2(3(2359tetramethyl7oxofuro(32g)chromen6yl)propanoylamino)propanoicacid
(R)3(benzylthio)2(3(2359tetramethyl7oxo7Hfuro(32g)chromen6yl)propanamido)propanoicacid
56698856
InChI=1SC28H29NO6Sc11518(4)342517(3)2622(1221(15)25)16(2)20(28(33)3526)101124(30)2923(27(31)32)143613198657919h591223H10111314H214H3(H2930)(H3132)t23m1s1
O=C(N(C@H)(C(=O)O)CSCc1ccccc1)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1C)C
SbenzylN(3(2359tetramethyl7oxo7Hfuro(32g)chromen6yl)propanoyl)Dcysteine
ZINC000016042997
ZINC16042997

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Available files

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