Vitas-M small molecule compound
2-{[5-(2-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-nitrophenyl)acetamide
Catalog ID
STK400925
SMILES C=CCn1c(SCC(=O)Nc2cccc(c2)[N+](=O)[O-])nnc1c1ccccc1OC
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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 C20H19N5O4S MW 425.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N5O4S/c1-3-11-24-19(16-9-4-5-10-17(16)29-2)22-23-20(24)30-13-18(26)21-14-7-6-8-15(12-14)25(27)28/h3-10,12H,1,11,13H2,2H3,(H,21,26)InChIKey
SUEUUSQMJOBKDS-UHFFFAOYSA-NSynonyms
2((5(2methoxyphenyl)4(prop2en1yl)4H124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
2((5(2methoxyphenyl)4prop2enyl124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
2(5(2METHOXYPHENYL)4PROP2ENYL(124TRIAZOL3YLTHIO))N(3NITROPHENYL)ACETAMIDE
C=CCn1c(SCC(=O)Nc2cccc(c2)(N+)(=O)(O))nnc1c1ccccc1OC
COC1=CC=CC=C1C2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC20H19N5O4Sc13112419(169451017(16)292)222320(24)301318(26)211476815(1214)25(27)28h31012H11113H22H3(H2126)
MFCD05525562
ZINC000017094413
ZINC17094413
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