Vitas-M small molecule compound
2-{[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
Catalog ID
STK147519
SMILES C=CCn1c(SCC(=O)N2CCCC2)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 C17H19N5O3S MW 373.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N5O3S/c1-2-9-21-16(13-5-7-14(8-6-13)22(24)25)18-19-17(21)26-12-15(23)20-10-3-4-11-20/h2,5-8H,1,3-4,9-12H2InChIKey
JTODYCVNZXRBDD-UHFFFAOYSA-NSynonyms
2((5(4NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)1(PYRROLIDIN1YL)ETHANONE
2((5(4NITROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)1PYRROLIDIN1YLETHANONE
C=CCN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=C(C=C3)(N+)(=O)(O)
C=CCn1c(SCC(=O)N2CCCC2)nnc1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC17H19N5O3Sc1292116(135714(8613)22(24)25)181917(21)261215(23)2010341120h258H134912H2
MFCD05985709
ZINC000002836845
ZINC02836845
ZINC2836845
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