Vitas-M small molecule compound
methyl 1-({[4-({(E)-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]methylidene}amino)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
Catalog ID
STL403088
SMILES COC(=O)c1ccn(n1)CSc1nncn1/N=C/c1ccc(c(c1)Cn1cccn1)OC
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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 C20H20N8O3S MW 452.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N8O3S/c1-30-18-5-4-15(10-16(18)12-26-8-3-7-22-26)11-23-28-13-21-24-20(28)32-14-27-9-6-17(25-27)19(29)31-2/h3-11,13H,12,14H2,1-2H3/b23-11+InChIKey
RGJNDUPOVHVVCT-FOKLQQMPSA-NSynonyms
COC(=O)c1ccn(n1)CSc1nncn1N=Cc1ccc(c(c1)Cn1cccn1)OC
COC1=C(C=C(C=C1)C=NN2C=NN=C2SCN3C=CC(=N3)C(=O)OC)CN4C=CC=N4
InChI=1SC20H20N8O3Sc130185415(1016(18)12268372226)11232813212420(28)3214279617(2527)19(29)312h31113H1214H212H3b2311+
methyl1(((4(((E)(4methoxy3(1Hpyrazol1ylmethyl)phenyl)methylidene)amino)4H124triazol3yl)sulfanyl)methyl)1Hpyrazole3carboxylate
methyl1((4((E)(4methoxy3(pyrazol1ylmethyl)phenyl)methylideneamino)124triazol3yl)sulfanylmethyl)pyrazole3carboxylate
MFCD28952629
ZINC000002733792
ZINC02733791
ZINC2733791
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