Vitas-M small molecule compound

6-{(5Z)-4-oxo-5-[(4-oxo-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid

Catalog ID
STK881315
SMILES CC(OCCCNc1nc2ccccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCCCC(=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 C24H30N4O5S2 MW 518.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N4O5S2/c1-16(2)33-14-8-11-25-21-17(22(31)27-12-7-5-9-19(27)26-21)15-18-23(32)28(24(34)35-18)13-6-3-4-10-20(29)30/h5,7,9,12,15-16,25H,3-4,6,8,10-11,13-14H2,1-2H3,(H,29,30)/b18-15-
InChIKey
AFPITTKUJVDZFQ-SDXDJHTJSA-N
Synonyms
799836-04-7
(Z)6(5((2((3isopropoxypropyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)hexanoicacid
6((5Z)4oxo5((4oxo2((3(propan2yloxy)propyl)amino)4Hpyrido(12a)pyrimidin3yl)methylidene)2thioxo13thiazolidin3yl)hexanoicacid
6((5Z)4OXO5((4OXO2(3PROPAN2YLOXYPROPYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)HEXANOICACID
799836047
CC(C)OCCCNC1=C(C(=O)N2C=CC=CC2=N1)C=C3C(=O)N(C(=S)S3)CCCCCC(=O)O
CC(OCCCNc1nc2ccccn2c(=O)c1C=C1SC(=S)N(C1=O)CCCCCC(=O)O)C
InChI=1SC24H30N4O5S2c116(2)3314811252117(22(31)271275919(27)2621)151823(32)28(24(34)3518)136341020(29)30h57912151625H346810111314H212H3(H2930)b1815
MFCD03685234
ZINC000009461019
ZINC9461019

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Available files

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