Vitas-M small molecule compound
S-benzyl-N-{[(4,8,8-trimethyl-2-oxo-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]acetyl}-D-cysteine
Catalog ID
STL463630
SMILES O=C(N[C@@H](C(=O)O)CSCc1ccccc1)COc1cc2OC(C)(C)CCc2c2c1c(C)cc(=O)o2
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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 C27H29NO7S MW 511.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO7S/c1-16-11-23(30)34-25-18-9-10-27(2,3)35-20(18)12-21(24(16)25)33-13-22(29)28-19(26(31)32)15-36-14-17-7-5-4-6-8-17/h4-8,11-12,19H,9-10,13-15H2,1-3H3,(H,28,29)(H,31,32)/t19-/m1/s1InChIKey
QXYBUXFLRBFIQA-LJQANCHMSA-NSynonyms
(2S)3benzylsulfanyl2((2((488trimethyl2oxo910dihydropyrano(23h)chromen5yl)oxy)acetyl)amino)propanoicacid
(R)3(benzylthio)2(2((488trimethyl2oxo28910tetrahydropyrano(23f)chromen5yl)oxy)acetamido)propanoicacid
CC1=CC(=O)OC2=C3CCC(OC3=CC(=C12)OCC(=O)NC(CSCC4=CC=CC=C4)C(=O)O)(C)C
InChI=1SC27H29NO7Sc1161123(30)34251891027(23)3520(18)1221(24(16)25)331322(29)2819(26(31)32)153614177546817h48111219H9101315H213H3(H2829)(H3132)t19m1s1
MFCD08002452
O=C(N(C@@H)(C(=O)O)CSCc1ccccc1)COc1cc2OC(C)(C)CCc2c2c1c(C)cc(=O)o2
O=C(N(C@H)(C(=O)O)CSCc1ccccc1)COc1cc2OC(C)(C)CCc2c2c1c(C)cc(=O)o2
SbenzylN(((488trimethyl2oxo910dihydro2H8Hpyrano(23f)chromen5yl)oxy)acetyl)Dcysteine
ZINC000011865488
ZINC11865488
Check stock
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Check stock on Vitas-MAvailable files
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