Vitas-M small molecule compound
2-[10-(4-methoxyphenyl)-2,6,8-trioxo-3,4a,5,5a,6,8,8a,9,9a,10-decahydro-5,9-methano[1,3]thiazolo[5',4':5,6]thiopyrano[2,3-f]isoindol-7(2H)-yl]propanoic acid
Catalog ID
STK593616
SMILES COc1ccc(cc1)C1C2C(Sc3c1sc(=O)[nH]3)C1CC2C2C1C(=O)N(C2=O)C(C(=O)O)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 C23H22N2O6S2 MW 486.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O6S2/c1-8(22(28)29)25-20(26)15-11-7-12(16(15)21(25)27)17-14(11)13(9-3-5-10(31-2)6-4-9)18-19(32-17)24-23(30)33-18/h3-6,8,11-17H,7H2,1-2H3,(H,24,30)(H,28,29)InChIKey
SVYMQMPCUJNMDW-UHFFFAOYSA-NSynonyms
1025086-18-31025086183
2((4aR5R5aR8aR9S)10(4methoxyphenyl)268trioxo234a55a68a99a10decahydro59methanothiazolo(5456)thiopyrano(23f)isoindol7(8H)yl)propanoicacid
2(10(4methoxyphenyl)268trioxo34a55a688a99a10decahydro59methano(13)thiazolo(5456)thiopyrano(23f)isoindol7(2H)yl)propanoicacid
CC(C(=O)O)N1C(=O)C2C3CC(C2C1=O)C4C3C(C5=C(S4)NC(=O)S5)C6=CC=C(C=C6)OC
COc1ccc(cc1)C1C2C(Sc3c1sc(=O)(nH)3)C1CC2C2C1C(=O)N(C2=O)C(C(=O)O)C
InChI=1SC23H22N2O6S2c18(22(28)29)2520(26)1511712(16(15)21(25)27)1714(11)13(93510(312)649)1819(3217)2423(30)3318h3681117H7H212H3(H2430)(H2829)
MFCD05838665
ZINC000100708169
ZINC000238937034
Check stock
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Check stock on Vitas-MAvailable files
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