Vitas-M small molecule compound
N-(4-methoxyphenyl)-2-{[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK154274
SMILES C=CCn1c(SCC(=O)Nc2ccc(cc2)OC)nnc1c1ccc(cc1)[N+](=O)[O-]
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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/c1-3-12-24-19(14-4-8-16(9-5-14)25(27)28)22-23-20(24)30-13-18(26)21-15-6-10-17(29-2)11-7-15/h3-11H,1,12-13H2,2H3,(H,21,26)InChIKey
LAKIRQYTBAPQOI-UHFFFAOYSA-NSynonyms
C=CCn1c(SCC(=O)Nc2ccc(cc2)OC)nnc1c1ccc(cc1)(N+)(=O)(O)
COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC20H19N5O4Sc13122419(144816(9514)25(27)28)222320(24)301318(26)211561017(292)11715h311H11213H22H3(H2126)
MFCD04209361
N(4METHOXYPHENYL)2((5(4NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4METHOXYPHENYL)2((5(4NITROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000002835358
ZINC02835358
ZINC2835358
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