Vitas-M small molecule compound
3-[(5Z)-5-({2-[(2-hydroxyethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STK811450
SMILES OCCNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCC(=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 C18H18N4O5S2 MW 434.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O5S2/c1-10-3-2-6-21-15(10)20-14(19-5-8-23)11(16(21)26)9-12-17(27)22(18(28)29-12)7-4-13(24)25/h2-3,6,9,19,23H,4-5,7-8H2,1H3,(H,24,25)/b12-9-InChIKey
FEWHBQVADVMZJK-XFXZXTDPSA-NSynonyms
3((5Z)5((2((2hydroxyethyl)amino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((2(2HYDROXYETHYLAMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC(=O)O)NCCO
InChI=1SC18H18N4O5S2c1103262115(10)2014(195823)11(16(21)26)91217(27)22(18(28)2912)7413(24)25h23691923H4578H21H3(H2425)b129
MFCD03444847
OCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)CCC(=O)O
ZINC000013427244
ZINC13427244
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