Vitas-M small molecule compound
2-(4-methoxyphenyl)-N-[1-(4-methyl-5-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]acetamide
Catalog ID
STK219209
SMILES COc1ccc(cc1)CC(=O)NC(c1nnc(n1C)SCC(=O)c1cccc(c1)[N+](=O)[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 C22H23N5O5S MW 469.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O5S/c1-14(23-20(29)11-15-7-9-18(32-3)10-8-15)21-24-25-22(26(21)2)33-13-19(28)16-5-4-6-17(12-16)27(30)31/h4-10,12,14H,11,13H2,1-3H3,(H,23,29)InChIKey
DGSGRHSNVXECGG-UHFFFAOYSA-NSynonyms
2(4METHOXYPHENYL)N(1(4METHYL5((2(3NITROPHENYL)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)ACETAMIDE
2(4METHOXYPHENYL)N(1(4METHYL5(2(3NITROPHENYL)2OXOETHYL)SULFANYL124TRIAZOL3YL)ETHYL)ACETAMIDE
CC(C1=NN=C(N1C)SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))NC(=O)CC3=CC=C(C=C3)OC
COc1ccc(cc1)CC(=O)NC(c1nnc(n1C)SCC(=O)c1cccc(c1)(N+)(=O)(O))C
InChI=1SC22H23N5O5Sc114(2320(29)11157918(323)10815)21242522(26(21)2)331319(28)1654617(1216)27(30)31h4101214H1113H213H3(H2329)
MFCD06007168
ZINC000002880192
ZINC000002880193
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