Vitas-M small molecule compound
N-(4-methoxy-2-nitrophenyl)-2-({4-methyl-5-[(2-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK154291
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc1nnc(n1C)COc1ccccc1C
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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 C20H21N5O5S MW 443.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O5S/c1-13-6-4-5-7-17(13)30-11-18-22-23-20(24(18)2)31-12-19(26)21-15-9-8-14(29-3)10-16(15)25(27)28/h4-10H,11-12H2,1-3H3,(H,21,26)InChIKey
MUXIEXKLQAURRY-UHFFFAOYSA-NSynonyms
CC1=CC=CC=C1OCC2=NN=C(N2C)SCC(=O)NC3=C(C=C(C=C3)OC)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)CSc1nnc(n1C)COc1ccccc1C
InChI=1SC20H21N5O5Sc113645717(13)301118222320(24(18)2)311219(26)21159814(293)1016(15)25(27)28h410H1112H213H3(H2126)
MFCD03995683
N(4METHOXY2NITROPHENYL)2((4METHYL5((2METHYLPHENOXY)METHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
N(4METHOXY2NITROPHENYL)2((4METHYL5((2METHYLPHENOXY)METHYL)4H124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000013881281
ZINC13881281
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