Vitas-M small molecule compound
6-[2,6,8-trioxo-10-(pyridin-3-yl)-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]hexanoic acid
Catalog ID
STK598532
SMILES OC(=O)CCCCCN1C(=O)C2C(C1=O)C1CC2C2C1C(c1cccnc1)c1c(S2)[nH]c(=O)s1
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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 C24H25N3O5S2 MW 499.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O5S2/c28-14(29)6-2-1-3-8-27-22(30)17-12-9-13(18(17)23(27)31)19-16(12)15(11-5-4-7-25-10-11)20-21(33-19)26-24(32)34-20/h4-5,7,10,12-13,15-19H,1-3,6,8-9H2,(H,26,32)(H,28,29)InChIKey
VODJFQRTEAQHSN-UHFFFAOYSA-NSynonyms
1212388-78-71212388787
6((4aR5R5aR8aR9S)268trioxo10(pyridin3yl)234a55a68a99a10decahydro59methanothiazolo(5456)thiopyrano(23f)isoindol7(8H)yl)hexanoicacid
6(268trioxo10(pyridin3yl)34a55a688a99a10decahydro59methano(13)thiazolo(5456)thiopyrano(23f)isoindol7(2H)yl)hexanoicacid
C1C2C3C(C1C4C2C(=O)N(C4=O)CCCCCC(=O)O)SC5=C(C3C6=CN=CC=C6)SC(=O)N5
InChI=1SC24H25N3O5S2c2814(29)621382722(30)1712913(18(17)23(27)31)1916(12)15(11547251011)2021(3319)2624(32)3420h4571012131519H13689H2(H2632)(H2829)
MFCD05838674
OC(=O)CCCCCN1C(=O)C2C(C1=O)C1CC2C2C1C(c1cccnc1)c1c(S2)(nH)c(=O)s1
ZINC000239425969
ZINC000239425972
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.