Vitas-M small molecule compound
S-benzyl-N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g]chromen-6-yl]acetyl}-D-cysteine
Catalog ID
STL464054
SMILES O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)C)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 C31H27NO6S MW 541.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27NO6S/c1-18-8-10-21(11-9-18)25-15-37-27-14-28-22(12-24(25)27)19(2)23(31(36)38-28)13-29(33)32-26(30(34)35)17-39-16-20-6-4-3-5-7-20/h3-12,14-15,26H,13,16-17H2,1-2H3,(H,32,33)(H,34,35)/t26-/m1/s1InChIKey
MGTLFTTXJFRGBO-AREMUKBSSA-NSynonyms
(2S)3benzylsulfanyl2((2(5methyl3(4methylphenyl)7oxofuro(32g)chromen6yl)acetyl)amino)propanoicacid
(R)3(benzylthio)2(2(5methyl7oxo3(ptolyl)7Hfuro(32g)chromen6yl)acetamido)propanoicacid
CC1=CC=C(C=C1)C2=COC3=CC4=C(C=C32)C(=C(C(=O)O4)CC(=O)NC(CSCC5=CC=CC=C5)C(=O)O)C
InChI=1SC31H27NO6Sc11881021(11918)25153727142822(1224(25)27)19(2)23(31(36)3828)1329(33)3226(30(34)35)173916206435720h312141526H131617H212H3(H3233)(H3435)t26m1s1
MFCD06494584
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)C)N(C@@H)(C(=O)O)CSCc1ccccc1
O=C(Cc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccc(cc1)C)N(C@H)(C(=O)O)CSCc1ccccc1
SbenzylN((5methyl3(4methylphenyl)7oxo7Hfuro(32g)chromen6yl)acetyl)Dcysteine
ZINC000101968737
ZINC101968737
Check stock
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Check stock on Vitas-MAvailable files
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