Vitas-M small molecule compound
N-{(E)-[4-(dimethylamino)phenyl]methylidene}-3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-4H-1,2,4-triazol-4-amine
Catalog ID
STL394161
SMILES CN(c1ccc(cc1)/C=N/n1c(C)nnc1SCn1nc(c(c1C)[N+](=O)[O-])C)C
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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 C18H22N8O2S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N8O2S/c1-12-17(26(27)28)13(2)24(22-12)11-29-18-21-20-14(3)25(18)19-10-15-6-8-16(9-7-15)23(4)5/h6-10H,11H2,1-5H3/b19-10+InChIKey
SIPDWZVVMTZLOX-VXLYETTFSA-NSynonyms
1005672-20-71005672207
4((E)(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)iminomethyl)NNdimethylaniline
CC1=C(C(=NN1CSC2=NN=C(N2N=CC3=CC=C(C=C3)N(C)C)C)C)(N+)(=O)(O)
CN(c1ccc(cc1)C=Nn1c(C)nnc1SCn1nc(c(c1C)(N+)(=O)(O))C)C
InChI=1SC18H22N8O2Sc11217(26(27)28)13(2)24(2212)112918212014(3)25(18)1910156816(9715)23(4)5h610H11H215H3b1910+
MFCD05667499
N((E)(4(DIMETHYLAMINO)PHENYL)METHYLIDENE)3(((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)SULFANYL)5METHYL4H124TRIAZOL4AMINE
ZINC000002733111
ZINC101587607
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