Vitas-M small molecule compound

3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-methyl-N-{(E)-[5-(phenoxymethyl)furan-2-yl]methylidene}-4H-1,2,4-triazol-4-amine

Catalog ID
STK313846
SMILES Cc1nnc(n1/N=C/c1ccc(o1)COc1ccccc1)SCn1nc(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 C21H21N7O4S MW 467.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N7O4S/c1-14-20(28(29)30)15(2)26(25-14)13-33-21-24-23-16(3)27(21)22-11-18-9-10-19(32-18)12-31-17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3/b22-11+
InChIKey
HJZQSGVEDVMGDZ-SSDVNMTOSA-N
Synonyms
1005578-15-3
(E)N(3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5methyl124triazol4yl)1(5(phenoxymethyl)furan2yl)methanimine
1005578153
3(((35dimethyl4nitro1Hpyrazol1yl)methyl)sulfanyl)5methylN((E)(5(phenoxymethyl)furan2yl)methylidene)4H124triazol4amine
CC1=C(C(=NN1CSC2=NN=C(N2N=CC3=CC=C(O3)COC4=CC=CC=C4)C)C)(N+)(=O)(O)
Cc1nnc(n1N=Cc1ccc(o1)COc1ccccc1)SCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC21H21N7O4Sc11420(28(29)30)15(2)26(2514)133321242316(3)27(21)22111891019(3218)1231177546817h411H1213H213H3b2211+
MFCD05667494
ZINC000002733102
ZINC97469319

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Available files

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