Vitas-M small molecule compound

4-[(5Z)-5-{[9-methyl-4-oxo-2-(prop-2-en-1-ylamino)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid

Catalog ID
STK811676
SMILES C=CCNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCC(=O)O

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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 C20H20N4O4S2 MW 444.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O4S2/c1-3-8-21-16-13(18(27)23-9-4-6-12(2)17(23)22-16)11-14-19(28)24(20(29)30-14)10-5-7-15(25)26/h3-4,6,9,11,21H,1,5,7-8,10H2,2H3,(H,25,26)/b14-11-
InChIKey
YMFQHENAIYWSBK-KAMYIIQDSA-N
Synonyms

4((5Z)5((9methyl4oxo2(prop2en1ylamino)4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((9METHYL4OXO2(PROP2ENYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
C=CCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)CCCC(=O)O
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCC(=O)O)NCC=C
InChI=1SC20H20N4O4S2c138211613(18(27)2394612(2)17(23)2216)111419(28)24(20(29)3014)105715(25)26h34691121H157810H22H3(H2526)b1411
MFCD03444850
ZINC000002507302
ZINC2507302

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Available files

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