Vitas-M small molecule compound
4-[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]butanoic acid
Catalog ID
STK571545
SMILES OC(=O)CCCN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2cccnc2)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 C22H21N3O5S2 MW 471.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O5S2/c26-12(27)4-2-6-25-20(28)15-10-7-11(16(15)21(25)29)17-14(10)13(9-3-1-5-23-8-9)18-19(31-17)24-22(30)32-18/h1,3,5,8,10-11,13-17H,2,4,6-7H2,(H,24,30)(H,26,27)InChIKey
KTTHAKJMLPSJHY-UHFFFAOYSA-NSynonyms
1177960-37-01177960370
4((4aR5R5aR8aR9S)268trioxo10(pyridin3yl)234a55a68a99a10decahydro59methanothiazolo(5456)thiopyrano(23f)isoindol7(8H)yl)butanoicacid
4(268trioxo10(pyridin3yl)34a55a688a99a10decahydro59methano(13)thiazolo(5456)thiopyrano(23f)isoindol7(2H)yl)butanoicacid
C1C2C3C(C1C4C2C(=O)N(C4=O)CCCC(=O)O)SC5=C(C3C6=CN=CC=C6)SC(=O)N5
InChI=1SC22H21N3O5S2c2612(27)4262520(28)1510711(16(15)21(25)29)1714(10)13(93152389)1819(3117)2422(30)3218h135810111317H2467H2(H2430)(H2627)
MFCD05838679
OC(=O)CCCN1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2cccnc2)sc(=O)(nH)1
ZINC000238901075
ZINC000238901083
Check stock
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