Vitas-M small molecule compound
methyl [(2Z)-2-[(5-carbamoyl-1H-imidazol-4-yl)imino]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetate
Catalog ID
STL439972
SMILES COC(=O)CC1S/C(=N\c2nc[nH]c2C(=O)N)/N(C1=O)CC=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 C13H15N5O4S MW 337.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N5O4S/c1-3-4-18-12(21)7(5-8(19)22-2)23-13(18)17-11-9(10(14)20)15-6-16-11/h3,6-7H,1,4-5H2,2H3,(H2,14,20)(H,15,16)/b17-13-InChIKey
NYJXGDJFSZPPER-LGMDPLHJSA-NSynonyms
COC(=O)CC1C(=O)N(C(=NC2=C(NC=N2)C(=O)N)S1)CC=C
COC(=O)CC1SC(=Nc2nc(nH)c2C(=O)N)N(C1=O)CC=C
InChI=1SC13H15N5O4Sc1341812(21)7(58(19)222)2313(18)17119(10(14)20)1561611h367H145H22H3(H21420)(H1516)b1713
methyl((2Z)2((5carbamoyl1Himidazol4yl)imino)4oxo3(prop2en1yl)13thiazolidin5yl)acetate
methyl2((2Z)2((5carbamoyl1Himidazol4yl)imino)4oxo3prop2enyl13thiazolidin5yl)acetate
MFCD06240094
ZINC000004817983
ZINC000004817984
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