Vitas-M small molecule compound
2-{[4-(2-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
Catalog ID
STK328689
SMILES COc1ccccc1n1c(SCC(=O)Nc2ccc(cc2)[N+](=O)[O-])nnc1c1ccncc1
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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 C22H18N6O4S MW 462.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18N6O4S/c1-32-19-5-3-2-4-18(19)27-21(15-10-12-23-13-11-15)25-26-22(27)33-14-20(29)24-16-6-8-17(9-7-16)28(30)31/h2-13H,14H2,1H3,(H,24,29)InChIKey
KFIOXOXYUJFQTR-UHFFFAOYSA-NSynonyms
889948-88-32((4(2methoxyphenyl)5(pyridin4yl)4H124triazol3yl)sulfanyl)N(4nitrophenyl)acetamide
2((4(2METHOXYPHENYL)5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)N(4NITROPHENYL)ACETAMIDE
889948883
COC1=CC=CC=C1N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)(N+)(=O)(O))C4=CC=NC=C4
COc1ccccc1n1c(SCC(=O)Nc2ccc(cc2)(N+)(=O)(O))nnc1c1ccncc1
InChI=1SC22H18N6O4Sc13219532418(19)2721(15101223131115)252622(27)331420(29)24166817(9716)28(30)31h213H14H21H3(H2429)
MFCD06617304
ZINC000014945370
ZINC14945370
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