Vitas-M small molecule compound
methyl 4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}benzoate
Catalog ID
STK547815
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N
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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 C18H17N9O4S2 MW 487.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N9O4S2/c1-30-17(29)11-4-2-10(3-5-11)8-21-23-16(28)13-12(9-33-18-20-6-7-32-18)27(26-22-13)15-14(19)24-31-25-15/h2-5,8H,6-7,9H2,1H3,(H2,19,24)(H,23,28)/b21-8+InChIKey
NXXYMMQIWFLEER-ODCIPOBUSA-NSynonyms
487035-46-1(E)methyl4((2(1(4amino125oxadiazol3yl)5(((45dihydrothiazol2yl)thio)methyl)1H123triazole4carbonyl)hydrazono)methyl)benzoate
487035461
COC(=O)C1=CC=C(C=C1)C=NNC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=NCCS4
COC(=O)c1ccc(cc1)C=NNC(=O)c1nnn(c1CSC1=NCCS1)c1nonc1N
InChI=1SC18H17N9O4S2c13017(29)114210(3511)8212316(28)1312(9331820673218)27(262213)1514(19)24312515h258H679H21H3(H21924)(H2328)b218+
methyl4((E)((1(4amino125oxadiazol3yl)5(45dihydro13thiazol2ylsulfanylmethyl)triazole4carbonyl)hydrazinylidene)methyl)benzoate
methyl4((E)(2((1(4amino125oxadiazol3yl)5((45dihydro13thiazol2ylsulfanyl)methyl)1H123triazol4yl)carbonyl)hydrazinylidene)methyl)benzoate
MFCD03287210
ZINC000009318407
ZINC33855663
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