Vitas-M small molecule compound
(5Z)-5-[4-(morpholin-4-ium-4-yl)benzylidene]-4,6-dioxo-1-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyrimidine-2-thiolate
Catalog ID
STL051447
SMILES CC(c1ccc(cc1)N1C(=NC(=O)/C(=C/c2ccc(cc2)[NH+]2CCOCC2)/C1=O)[S-])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 C24H25N3O3S MW 435.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O3S/c1-16(2)18-5-9-20(10-6-18)27-23(29)21(22(28)25-24(27)31)15-17-3-7-19(8-4-17)26-11-13-30-14-12-26/h3-10,15-16H,11-14H2,1-2H3,(H,25,28,31)/b21-15-InChIKey
NZWUEDHKKPCORM-QNGOZBTKSA-NSynonyms
(5Z)5((4MORPHOLIN4IUM4YLPHENYL)METHYLIDENE)6OXO1(4PROPAN2YLPHENYL)2SULFANYLIDENEPYRIMIDIN4OLATE
(5Z)5((4MORPHOLIN4YLPHENYL)METHYLIDENE)1(4PROPAN2YLPHENYL)2SULFANYLIDENE13DIAZINANE46DIONE
(5Z)5(4(morpholin4ium4yl)benzylidene)46dioxo1(4(propan2yl)phenyl)1456tetrahydropyrimidine2thiolate
CC(C)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)(NH+)4CCOCC4)C(=NC2=S)(O)
CC(c1ccc(cc1)N1C(=NC(=O)C(=Cc2ccc(cc2)(NH+)2CCOCC2)C1=O)(S))C
InChI=1SC24H25N3O3Sc116(2)185920(10618)2723(29)21(22(28)2524(27)31)15173719(8417)26111330141226h3101516H1114H212H3(H252831)b2115
MFCD18249397
ZINC000009359425
ZINC9359425
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