Vitas-M small molecule compound

S-benzyl-N~2~-[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]-N-propan-2-yl-L-cysteinamide

Catalog ID
STK603953
SMILES CC(NC(=O)[C@@H](NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C)CSCc1ccccc1)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 C32H38N2O5S MW 562.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H38N2O5S/c1-19(2)33-30(36)26(18-40-17-21-10-8-7-9-11-21)34-29(35)13-12-22-20(3)23-14-24-25(32(4,5)6)16-38-27(24)15-28(23)39-31(22)37/h7-11,14-16,19,26H,12-13,17-18H2,1-6H3,(H,33,36)(H,34,35)/t26-/m0/s1
InChIKey
LMBOGBXIPSGDQC-SANMLTNESA-N
Synonyms
1212294-12-6
(2R)3benzylsulfanyl2(3(3tertbutyl5methyl7oxofuro(32g)chromen6yl)propanoylamino)Npropan2ylpropanamide
(R)3(benzylthio)2(3(3(tertbutyl)5methyl7oxo7Hfuro(32g)chromen6yl)propanamido)Nisopropylpropanamide
1212294126
CC(NC(=O)(C@@H)(NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C(C)(C)C)CSCc1ccccc1)C
CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)NC(CSCC4=CC=CC=C4)C(=O)NC(C)C
InChI=1SC32H38N2O5Sc119(2)3330(36)26(18401721108791121)3429(35)13122220(3)23142425(32(45)6)163827(24)1528(23)3931(22)37h71114161926H12131718H216H3(H3336)(H3435)t26m0s1
MFCD18158614
SbenzylN~2~(3(3tertbutyl5methyl7oxo7Hfuro(32g)chromen6yl)propanoyl)Npropan2ylLcysteinamide
SBENZYLN2(3(3TERTBUTYL5METHYL7OXO7HFURO(32G)CHROMEN6YL)PROPANOYL)NPROPAN2YLLCYSTEINAMIDE
ZINC000101547601
ZINC101547601

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Available files

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