Vitas-M small molecule compound
N-(3,4-dimethylphenyl)-2-{[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STK154278
SMILES C=CCn1c(SCC(=O)Nc2ccc(c(c2)C)C)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 C21H21N5O3S MW 423.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3S/c1-4-11-25-20(16-6-9-18(10-7-16)26(28)29)23-24-21(25)30-13-19(27)22-17-8-5-14(2)15(3)12-17/h4-10,12H,1,11,13H2,2-3H3,(H,22,27)InChIKey
IMOLEVBDXKBIPZ-UHFFFAOYSA-NSynonyms
C=CCn1c(SCC(=O)Nc2ccc(c(c2)C)C)nnc1c1ccc(cc1)(N+)(=O)(O)
CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=C(C=C3)(N+)(=O)(O))C
InChI=1SC21H21N5O3Sc14112520(166918(10716)26(28)29)232421(25)301319(27)22178514(2)15(3)1217h41012H11113H223H3(H2227)
MFCD03995499
N(34DIMETHYLPHENYL)2((5(4NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(34DIMETHYLPHENYL)2((5(4NITROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000001142493
ZINC01142493
ZINC1142493
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