Vitas-M small molecule compound
4-methyl-2-[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]pentanoic acid
Catalog ID
STK596829
SMILES CC(CC(N1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2cccnc2)sc(=O)[nH]1)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 C24H25N3O5S2 MW 499.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O5S2/c1-9(2)6-13(23(30)31)27-21(28)16-11-7-12(17(16)22(27)29)18-15(11)14(10-4-3-5-25-8-10)19-20(33-18)26-24(32)34-19/h3-5,8-9,11-18H,6-7H2,1-2H3,(H,26,32)(H,30,31)InChIKey
BDHMULYMCDXLER-UHFFFAOYSA-NSynonyms
1025019-19-51025019195
4methyl2((4aR5R5aR8aR9S)268trioxo10(pyridin3yl)234a55a68a99a10decahydro59methanothiazolo(5456)thiopyrano(23f)isoindol7(8H)yl)pentanoicacid
4methyl2(268trioxo10(pyridin3yl)34a55a688a99a10decahydro59methano(13)thiazolo(5456)thiopyrano(23f)isoindol7(2H)yl)pentanoicacid
CC(C)CC(C(=O)O)N1C(=O)C2C3CC(C2C1=O)C4C3C(C5=C(S4)NC(=O)S5)C6=CN=CC=C6
CC(CC(N1C(=O)C2C(C1=O)C1CC2C2C1Sc1c(C2c2cccnc2)sc(=O)(nH)1)C(=O)O)C
InChI=1SC24H25N3O5S2c19(2)613(23(30)31)2721(28)1611712(17(16)22(27)29)1815(11)14(1043525810)1920(3318)2624(32)3419h35891118H67H212H3(H2632)(H3031)
MFCD05838675
ZINC000238881708
ZINC000238881715
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