Vitas-M small molecule compound
3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-N-[(E)-{5-[(4-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methylidene]-4H-1,2,4-triazol-4-amine
Catalog ID
STK313871
SMILES [O-][N+](=O)c1cnn(c1)Cc1ccc(o1)/C=N/n1c(C)nnc1SCn1nc(c(c1C)[N+](=O)[O-])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 C18H18N10O5S MW 486.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N10O5S/c1-11-17(28(31)32)12(2)25(23-11)10-34-18-22-21-13(3)26(18)20-7-15-4-5-16(33-15)9-24-8-14(6-19-24)27(29)30/h4-8H,9-10H2,1-3H3/b20-7+InChIKey
IEXSSWLYEXWNIP-IFRROFPPSA-NSynonyms
1005642-86-3(E)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)1(5((4nitropyrazol1yl)methyl)furan2yl)methanimine
(O)(N+)(=O)c1cnn(c1)Cc1ccc(o1)C=Nn1c(C)nnc1SCn1nc(c(c1C)(N+)(=O)(O))C
1005642863
3(((35dimethyl4nitro1Hpyrazol1yl)methyl)sulfanyl)5methylN((E)(5((4nitro1Hpyrazol1yl)methyl)furan2yl)methylidene)4H124triazol4amine
4((1E)2(5((4NITROPYRAZOLYL)METHYL)(2FURYL))1AZAVINYL)5((35DIMETHYL4NITROPYRAZOLYL)METHYLTHIO)3METHYL124TRIAZOLE
CC1=C(C(=NN1CSC2=NN=C(N2N=CC3=CC=C(O3)CN4C=C(C=N4)(N+)(=O)(O))C)C)(N+)(=O)(O)
InChI=1SC18H18N10O5Sc11117(28(31)32)12(2)25(2311)103418222113(3)26(18)207154516(3315)924814(61924)27(29)30h48H910H213H3b207+
MFCD05667535
ZINC000002733172
ZINC4510591
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.