Vitas-M small molecule compound

1-(morpholin-4-yl)-2-{[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone

Catalog ID
STK147511
SMILES C=CCn1c(SCC(=O)N2CCOCC2)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 C17H19N5O4S MW 389.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19N5O4S/c1-2-7-21-16(13-3-5-14(6-4-13)22(24)25)18-19-17(21)27-12-15(23)20-8-10-26-11-9-20/h2-6H,1,7-12H2
InChIKey
LWNNNGQGBIFPMI-UHFFFAOYSA-N
Synonyms

1(MORPHOLIN4YL)2((5(4NITROPHENYL)4(PROP2EN1YL)4H124TRIAZOL3YL)SULFANYL)ETHANONE
1MORPHOLIN4YL2((5(4NITROPHENYL)4PROP2ENYL124TRIAZOL3YL)SULFANYL)ETHANONE
C=CCN1C(=NN=C1SCC(=O)N2CCOCC2)C3=CC=C(C=C3)(N+)(=O)(O)
C=CCn1c(SCC(=O)N2CCOCC2)nnc1c1ccc(cc1)(N+)(=O)(O)
InChI=1SC17H19N5O4Sc1272116(133514(6413)22(24)25)181917(21)271215(23)208102611920h26H1712H2
MFCD05985671
ZINC000002835279
ZINC02835279
ZINC2835279

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Available files

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