Vitas-M small molecule compound
N-(1-{4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-2-hydroxyethyl)benzamide
Catalog ID
STL122251
SMILES CCn1c(SCc2ccc(cc2)[N+](=O)[O-])nnc1C(NC(=O)c1ccccc1)CO
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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 C20H21N5O4S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O4S/c1-2-24-18(17(12-26)21-19(27)15-6-4-3-5-7-15)22-23-20(24)30-13-14-8-10-16(11-9-14)25(28)29/h3-11,17,26H,2,12-13H2,1H3,(H,21,27)InChIKey
QUTYDXVHDQZHEK-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))C(CO)NC(=O)C3=CC=CC=C3
CCn1c(SCc2ccc(cc2)(N+)(=O)(O))nnc1C(NC(=O)c1ccccc1)CO
InChI=1SC20H21N5O4Sc122418(17(1226)2119(27)156435715)222320(24)30131481016(11914)25(28)29h3111726H21213H21H3(H2127)
MFCD06001568
N((1S)1(4ETHYL5((4NITROBENZYL)SULFANYL)4H124TRIAZOL3YL)2HYDROXYETHYL)BENZAMIDE
N(1(4ethyl5((4nitrobenzyl)sulfanyl)4H124triazol3yl)2hydroxyethyl)benzamide
N(1(4ETHYL5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOL3YL)2HYDROXYETHYL)BENZAMIDE
ZINC000001063289
ZINC000001063290
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