Vitas-M small molecule compound
(2,6,8-trioxo-10-phenyl-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)acetic acid
Catalog ID
STK587560
SMILES OC(=O)CN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2ccccc2)sc(=O)[nH]1
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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 C21H18N2O5S2 MW 442.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5S2/c24-11(25)7-23-19(26)14-9-6-10(15(14)20(23)27)16-13(9)12(8-4-2-1-3-5-8)17-18(29-16)22-21(28)30-17/h1-5,9-10,12-16H,6-7H2,(H,22,28)(H,24,25)InChIKey
GBYMFODZINXBOP-UHFFFAOYSA-NSynonyms
1164461-40-8(268trioxo10phenyl34a55a688a99a10decahydro59methano(13)thiazolo(5456)thiopyrano(23f)isoindol7(2H)yl)aceticacid
1164461408
2((4aR5R5aR8aR9S)268trioxo10phenyl234a55a68a99a10decahydro59methanothiazolo(5456)thiopyrano(23f)isoindol7(8H)yl)aceticacid
C1C2C3C(C1C4C2C(=O)N(C4=O)CC(=O)O)SC5=C(C3C6=CC=CC=C6)SC(=O)N5
InChI=1SC21H18N2O5S2c2411(25)72319(26)149610(15(14)20(23)27)1613(9)12(8421358)1718(2916)2221(28)3017h159101216H67H2(H2228)(H2425)
MFCD05838707
OC(=O)CN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2ccccc2)sc(=O)(nH)1
ZINC000239305851
ZINC000239305854
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