Vitas-M small molecule compound
4-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitrobenzaldehyde
Catalog ID
STL369944
SMILES O=Cc1ccc(c(c1)[N+](=O)[O-])Sc1nnc(n1CC)c1ccncc1
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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 C16H13N5O3S MW 355.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O3S/c1-2-20-15(12-5-7-17-8-6-12)18-19-16(20)25-14-4-3-11(10-22)9-13(14)21(23)24/h3-10H,2H2,1H3InChIKey
WMJRENSBGZESOT-UHFFFAOYSA-NSynonyms
4((4ethyl5(pyridin4yl)4H124triazol3yl)sulfanyl)3nitrobenzaldehyde
4((4ETHYL5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)3NITROBENZALDEHYDE
4(4ETHYL5PYRIDIN4YL4H(124)TRIAZOL3YLSULFANYL)3NITROBENZALDEHYDE
CCN1C(=NN=C1SC2=C(C=C(C=C2)C=O)(N+)(=O)(O))C3=CC=NC=C3
InChI=1SC16H13N5O3Sc122015(1257178612)181916(20)25144311(1022)913(14)21(23)24h310H2H21H3
MFCD04210335
O=Cc1ccc(c(c1)(N+)(=O)(O))Sc1nnc(n1CC)c1ccncc1
ZINC000001141975
ZINC01141975
ZINC1141975
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