Vitas-M small molecule compound
N-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-D-tryptophyl-S-benzyl-D-cysteine
Catalog ID
STK591290
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)N[C@@H](C(=O)N[C@@H](C(=O)O)CSCc1ccccc1)Cc1c[nH]c2c1cccc2
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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 C40H41N3O7S MW 707.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H41N3O7S/c1-22-27-16-29-30(40(3,4)5)19-49-35(29)23(2)36(27)50-39(48)28(22)17-34(44)42-32(15-25-18-41-31-14-10-9-13-26(25)31)37(45)43-33(38(46)47)21-51-20-24-11-7-6-8-12-24/h6-14,16,18-19,32-33,41H,15,17,20-21H2,1-5H3,(H,42,44)(H,43,45)(H,46,47InChIKey
CQYGISCFWOZZBR-CZNDPXEESA-NSynonyms
1014045-34-1(2S)3benzylsulfanyl2(((2R)2((2(3tertbutyl59dimethyl7oxofuro(32g)chromen6yl)acetyl)amino)3(1Hindol3yl)propanoyl)amino)propanoicacid
(S)3(benzylthio)2((R)2(2(3(tertbutyl)59dimethyl7oxo7Hfuro(32g)chromen6yl)acetamido)3(1Hindol3yl)propanamido)propanoicacid
CC1=C(C(=O)OC2=C1C=C3C(=COC3=C2C)C(C)(C)C)CC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CSCC6=CC=CC=C6)C(=O)O
N((3tertbutyl59dimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)DtryptophylSbenzylDcysteine
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(C)(C)C)N(C@@H)(C(=O)N(C@@H)(C(=O)O)CSCc1ccccc1)Cc1c(nH)c2c1cccc2
Registry IDs
MFCD18245909ZINC000097957044
ZINC97957044
Check stock
See real-time availability and sample size for STK591290 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.