Vitas-M small molecule compound

3-{[4-(ethylsulfonyl)-2-nitrophenyl]sulfanyl}-4-methyl-5-(phenoxymethyl)-4H-1,2,4-triazole

Catalog ID
STK735843
SMILES CCS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Sc1nnc(n1C)COc1ccccc1

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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 C18H18N4O5S2 MW 434.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O5S2/c1-3-29(25,26)14-9-10-16(15(11-14)22(23)24)28-18-20-19-17(21(18)2)12-27-13-7-5-4-6-8-13/h4-11H,3,12H2,1-2H3
InChIKey
UJDMOKHEDRUVNO-UHFFFAOYSA-N
Synonyms

3((4(ethylsulfonyl)2nitrophenyl)sulfanyl)4methyl5(phenoxymethyl)4H124triazole
3(4ETHYLSULFONYL2NITROPHENYL)SULFANYL4METHYL5(PHENOXYMETHYL)124TRIAZOLE
CCS(=O)(=O)C1=CC(=C(C=C1)SC2=NN=C(N2C)COC3=CC=CC=C3)(N+)(=O)(O)
CCS(=O)(=O)c1ccc(c(c1)(N+)(=O)(O))Sc1nnc(n1C)COc1ccccc1
InChI=1SC18H18N4O5S2c1329(2526)1491016(15(1114)22(23)24)2818201917(21(18)2)1227137546813h411H312H212H3
MFCD05855066
ZINC000012412548
ZINC12412548

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Available files

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