Vitas-M small molecule compound

1-[3-({[4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-4-methoxyphenyl]ethanone

Catalog ID
STK271593
SMILES COc1ccc(cc1CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)[N+](=O)[O-])C(=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 C25H22N4O4S MW 474.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O4S/c1-17(30)20-10-13-23(33-2)21(14-20)16-34-25-27-26-24(19-8-11-22(12-9-19)29(31)32)28(25)15-18-6-4-3-5-7-18/h3-14H,15-16H2,1-2H3
InChIKey
UMMGMCPMMGIWRB-UHFFFAOYSA-N
Synonyms

1(3(((4benzyl5(4nitrophenyl)4H124triazol3yl)sulfanyl)methyl)4methoxyphenyl)ethanone
1(3((4BENZYL5(4NITROPHENYL)124TRIAZOL3YL)SULFANYLMETHYL)4METHOXYPHENYL)ETHANONE
CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc(cc1CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)(N+)(=O)(O))C(=O)C
InChI=1SC25H22N4O4Sc117(30)20101323(332)21(1420)163425272624(1981122(12919)29(31)32)28(25)15186435718h314H1516H212H3
MFCD04211742
ZINC000001127760
ZINC01127760
ZINC1127760

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Available files

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