Vitas-M small molecule compound

[4-({5-[(benzylsulfanyl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-3-nitrophenyl](pyridin-2-yl)methanone

Catalog ID
STK664718
SMILES [O-][N+](=O)c1cc(ccc1Sc1nnc(n1c1ccccc1)CSCc1ccccc1)C(=O)c1ccccn1

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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 C28H21N5O3S2 MW 539.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21N5O3S2/c34-27(23-13-7-8-16-29-23)21-14-15-25(24(17-21)33(35)36)38-28-31-30-26(32(28)22-11-5-2-6-12-22)19-37-18-20-9-3-1-4-10-20/h1-17H,18-19H2
InChIKey
NYXRZULHHWPEJF-UHFFFAOYSA-N
Synonyms

(4((5((benzylsulfanyl)methyl)4phenyl4H124triazol3yl)sulfanyl)3nitrophenyl)(pyridin2yl)methanone
(4((5(BENZYLSULFANYLMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)3NITROPHENYL)PYRIDIN2YLMETHANONE
(O)(N+)(=O)c1cc(ccc1Sc1nnc(n1c1ccccc1)CSCc1ccccc1)C(=O)c1ccccn1
C1=CC=C(C=C1)CSCC2=NN=C(N2C3=CC=CC=C3)SC4=C(C=C(C=C4)C(=O)C5=CC=CC=N5)(N+)(=O)(O)
InChI=1SC28H21N5O3S2c3427(231378162923)21141525(24(1721)33(35)36)3828313026(32(28)22115261222)1937182093141020h117H1819H2
MFCD06016768
ZINC000098008009
ZINC98008009

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Available files

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