Vitas-M small molecule compound
methyl (2Z)-{(2Z)-2-[2-(5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)hydrazinylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene}ethanoate
Catalog ID
STL079752
SMILES COC(=O)/C=C/1\S/C(=N\Nc2[nH]c(=O)c3c(n2)sc(c3C)C)/N(C1=O)c1ccccc1
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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 C20H17N5O4S2 MW 455.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N5O4S2/c1-10-11(2)30-17-15(10)16(27)21-19(22-17)23-24-20-25(12-7-5-4-6-8-12)18(28)13(31-20)9-14(26)29-3/h4-9H,1-3H3,(H2,21,22,23,27)/b13-9-,24-20-InChIKey
VATGTMLDCQSIIO-MBTHIPQXSA-NSynonyms
CC1=C(SC2=C1C(=O)NC(=N2)NN=C3N(C(=O)C(=CC(=O)OC)S3)C4=CC=CC=C4)C
COC(=O)C=C1SC(=NNc2(nH)c(=O)c3c(n2)sc(c3C)C)N(C1=O)c1ccccc1
InChI=1SC20H17N5O4S2c11011(2)301715(10)16(27)2119(2217)23242025(127546812)18(28)13(3120)914(26)293h49H13H3(H221222327)b1392420
methyl(2Z)((2Z)2(2(56dimethyl4oxo34dihydrothieno(23d)pyrimidin2yl)hydrazinylidene)4oxo3phenyl13thiazolidin5ylidene)ethanoate
methyl(2Z)2((2Z)2((56dimethyl4oxo3Hthieno(23d)pyrimidin2yl)hydrazinylidene)4oxo3phenyl13thiazolidin5ylidene)acetate
MFCD18200600
ZINC000045150365
ZINC103078686
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