Vitas-M small molecule compound
methyl 4-[(E)-{[3-(pyridin-4-yl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]imino}methyl]benzoate
Catalog ID
STK846242
SMILES COC(=O)c1ccc(cc1)/C=N/n1c(=S)[nH]nc1c1ccncc1
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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 C16H13N5O2S MW 339.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O2S/c1-23-15(22)13-4-2-11(3-5-13)10-18-21-14(19-20-16(21)24)12-6-8-17-9-7-12/h2-10H,1H3,(H,20,24)/b18-10+InChIKey
YEFCDWCTHNZMIM-VCHYOVAHSA-NSynonyms
488746-64-1488746641
COC(=O)C1=CC=C(C=C1)C=NN2C(=NNC2=S)C3=CC=NC=C3
COC(=O)c1ccc(cc1)C=Nn1c(=S)(nH)nc1c1ccncc1
InChI=1SC16H13N5O2Sc12315(22)134211(3513)10182114(192016(21)24)1268179712h210H1H3(H2024)b1810+
METHYL4((1E)2(5(4PYRIDYL)3SULFANYL(124TRIAZOL4YL))2AZAVINYL)BENZOATE
methyl4((E)((3(pyridin4yl)5thioxo15dihydro4H124triazol4yl)imino)methyl)benzoate
METHYL4((E)(3PYRIDIN4YL5SULFANYLIDENE1H124TRIAZOL4YL)IMINOMETHYL)BENZOATE
MFCD03798348
ZINC000001299880
ZINC1299879
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