Vitas-M small molecule compound
N-cyclohexyl-2-[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-5-nitrobenzamide
Catalog ID
STK736227
SMILES O=C(c1cc(ccc1Sc1nnc(n1c1ccccc1)C)[N+](=O)[O-])NC1CCCCC1
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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 C22H23N5O3S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O3S/c1-15-24-25-22(26(15)17-10-6-3-7-11-17)31-20-13-12-18(27(29)30)14-19(20)21(28)23-16-8-4-2-5-9-16/h3,6-7,10-14,16H,2,4-5,8-9H2,1H3,(H,23,28)InChIKey
VBJSHJIEWCCCLY-UHFFFAOYSA-NSynonyms
CC1=NN=C(N1C2=CC=CC=C2)SC3=C(C=C(C=C3)(N+)(=O)(O))C(=O)NC4CCCCC4
InChI=1SC22H23N5O3Sc115242522(26(15)17106371117)3120131218(27(29)30)1419(20)21(28)23168425916h367101416H24589H21H3(H2328)
MFCD07022048
NCYCLOHEXYL(2(5METHYL4PHENYL(124TRIAZOL3YLTHIO))5NITROPHENYL)CARBOXAMIDE
NCYCLOHEXYL2((5METHYL4PHENYL124TRIAZOL3YL)SULFANYL)5NITROBENZAMIDE
Ncyclohexyl2((5methyl4phenyl4H124triazol3yl)sulfanyl)5nitrobenzamide
O=C(c1cc(ccc1Sc1nnc(n1c1ccccc1)C)(N+)(=O)(O))NC1CCCCC1
ZINC000012427707
ZINC12427707
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