Vitas-M small molecule compound
4-methoxy-N-({5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)benzamide
Catalog ID
STK218755
SMILES COc1ccc(cc1)C(=O)NCc1nnc(n1c1ccccc1)SCc1ccc(cc1)[N+](=O)[O-]
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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 C24H21N5O4S MW 475.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N5O4S/c1-33-21-13-9-18(10-14-21)23(30)25-15-22-26-27-24(28(22)19-5-3-2-4-6-19)34-16-17-7-11-20(12-8-17)29(31)32/h2-14H,15-16H2,1H3,(H,25,30)InChIKey
JIIUYKHTURHVSH-UHFFFAOYSA-NSynonyms
4METHOXYN((5((4NITROBENZYL)SULFANYL)4PHENYL4H124TRIAZOL3YL)METHYL)BENZAMIDE
4METHOXYN((5((4NITROPHENYL)METHYLSULFANYL)4PHENYL124TRIAZOL3YL)METHYL)BENZAMIDE
COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc(cc1)C(=O)NCc1nnc(n1c1ccccc1)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC24H21N5O4Sc1332113918(101421)23(30)251522262724(28(22)195324619)34161771120(12817)29(31)32h214H1516H21H3(H2530)
MFCD05889115
ZINC000002868663
ZINC02868663
ZINC2868663
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