Vitas-M small molecule compound
(4-{[5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrophenyl)(pyridin-2-yl)methanone
Catalog ID
STK271936
SMILES [O-][N+](=O)c1cc(ccc1Sc1nnc(n1C)c1ccc(cc1)C(C)(C)C)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 C25H23N5O3S MW 473.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N5O3S/c1-25(2,3)18-11-8-16(9-12-18)23-27-28-24(29(23)4)34-21-13-10-17(15-20(21)30(32)33)22(31)19-7-5-6-14-26-19/h5-15H,1-4H3InChIKey
VUGKRRKDUBDMPH-UHFFFAOYSA-NSynonyms
(4((5(4TERTBUTYLPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)3NITROPHENYL)PYRIDIN2YLMETHANONE
(4((5(4tertbutylphenyl)4methyl4H124triazol3yl)sulfanyl)3nitrophenyl)(pyridin2yl)methanone
(O)(N+)(=O)c1cc(ccc1Sc1nnc(n1C)c1ccc(cc1)C(C)(C)C)C(=O)c1ccccn1
4(5(4(TERTBUTYL)PHENYL)4METHYL(124TRIAZOL3YLTHIO))3NITROPHENYL2PYRIDYLKETONE
CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C)SC3=C(C=C(C=C3)C(=O)C4=CC=CC=N4)(N+)(=O)(O)
InChI=1SC25H23N5O3Sc125(23)1811816(91218)23272824(29(23)4)3421131017(1520(21)30(32)33)22(31)19756142619h515H14H3
MFCD06016488
ZINC000009614314
ZINC09614314
ZINC9614314
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