Vitas-M small molecule compound
methyl (2E)-{(2Z)-3-benzyl-2-[(5-carbamoyl-1H-imidazol-4-yl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}ethanoate
Catalog ID
STL439889
SMILES COC(=O)/C=C\1/S/C(=N\c2nc[nH]c2C(=O)N)/N(C1=O)Cc1ccccc1
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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 C17H15N5O4S MW 385.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N5O4S/c1-26-12(23)7-11-16(25)22(8-10-5-3-2-4-6-10)17(27-11)21-15-13(14(18)24)19-9-20-15/h2-7,9H,8H2,1H3,(H2,18,24)(H,19,20)/b11-7+,21-17-InChIKey
VNCDKKROKRECGA-LAMBWEDLSA-NSynonyms
COC(=O)C=C1C(=O)N(C(=NC2=C(NC=N2)C(=O)N)S1)CC3=CC=CC=C3
COC(=O)C=C1SC(=Nc2nc(nH)c2C(=O)N)N(C1=O)Cc1ccccc1
InChI=1SC17H15N5O4Sc12612(23)71116(25)22(8105324610)17(2711)211513(14(18)24)1992015h279H8H21H3(H21824)(H1920)b117+2117
methyl(2E)((2Z)3benzyl2((5carbamoyl1Himidazol4yl)imino)4oxo13thiazolidin5ylidene)ethanoate
methyl(2E)2((2Z)3benzyl2((5carbamoyl1Himidazol4yl)imino)4oxo13thiazolidin5ylidene)acetate
MFCD06240089
ZINC000004817900
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