Vitas-M small molecule compound
3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-N-{(E)-[4-methoxy-3-(methoxymethyl)phenyl]methylidene}-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL403524
SMILES COCc1cc(/C=N/n2c(C)nnc2SCn2nc(c(c2C)[N+](=O)[O-])C)ccc1OC
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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 C19H23N7O4S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H23N7O4S/c1-12-18(26(27)28)13(2)24(23-12)11-31-19-22-21-14(3)25(19)20-9-15-6-7-17(30-5)16(8-15)10-29-4/h6-9H,10-11H2,1-5H3/b20-9+InChIKey
GXGCUTVYJGPIQZ-AWQFTUOYSA-NSynonyms
1005578-39-1(E)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)1(4methoxy3(methoxymethyl)phenyl)methanimine
1005578391
3(((35dimethyl4nitro1Hpyrazol1yl)methyl)sulfanyl)N((E)(4methoxy3(methoxymethyl)phenyl)methylidene)5methyl4H124triazol4amine
CC1=C(C(=NN1CSC2=NN=C(N2N=CC3=CC(=C(C=C3)OC)COC)C)C)(N+)(=O)(O)
COCc1cc(C=Nn2c(C)nnc2SCn2nc(c(c2C)(N+)(=O)(O))C)ccc1OC
InChI=1SC19H23N7O4Sc11218(26(27)28)13(2)24(2312)113119222114(3)25(19)209156717(305)16(815)10294h69H1011H215H3b209+
MFCD05667556
ZINC000002733199
ZINC101587272
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