Vitas-M small molecule compound
S-benzyl-N-{[3-(4-fluorophenyl)-5-methyl-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}-D-cysteine
Catalog ID
STL462785
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)F)N[C@@H](C(=O)O)CSCc1ccccc1
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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 C30H24FNO6S MW 545.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24FNO6S/c1-17-21-11-23-24(19-7-9-20(31)10-8-19)14-37-26(23)13-27(21)38-30(36)22(17)12-28(33)32-25(29(34)35)16-39-15-18-5-3-2-4-6-18/h2-11,13-14,25H,12,15-16H2,1H3,(H,32,33)(H,34,35)/t25-/m1/s1InChIKey
KXNGENNAHPKZOM-RUZDIDTESA-NSynonyms
(2S)3benzylsulfanyl2((2(3(4fluorophenyl)5methyl7oxofuro(32g)chromen6yl)acetyl)amino)propanoicacid
(R)3(benzylthio)2(2(3(4fluorophenyl)5methyl7oxo7Hfuro(32g)chromen6yl)acetamido)propanoicacid
CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C4=CC=C(C=C4)F)CC(=O)NC(CSCC5=CC=CC=C5)C(=O)O
InChI=1SC30H24FNO6Sc11721112324(197920(31)10819)143726(23)1327(21)3830(36)22(17)1228(33)3225(29(34)35)163915185324618h211131425H121516H21H3(H3233)(H3435)t25m1s1
MFCD05672808
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)F)N(C@@H)(C(=O)O)CSCc1ccccc1
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)F)N(C@H)(C(=O)O)CSCc1ccccc1
SbenzylN((3(4fluorophenyl)5methyl7oxo7Hfuro(32g)chromen6yl)acetyl)Dcysteine
ZINC000011867586
ZINC11867586
Check stock
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Check stock on Vitas-MAvailable files
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