Vitas-M small molecule compound
2-{[5-(morpholin-4-ylmethyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Catalog ID
STK696931
SMILES O=C(c1cccc(c1)[N+](=O)[O-])CSc1nnc(n1c1ccccc1)CN1CCOCC1
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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 C21H21N5O4S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S/c27-19(16-5-4-8-18(13-16)26(28)29)15-31-21-23-22-20(14-24-9-11-30-12-10-24)25(21)17-6-2-1-3-7-17/h1-8,13H,9-12,14-15H2InChIKey
YNNQGYMLIHAFDS-UHFFFAOYSA-NSynonyms
2((5(MORPHOLIN4YLMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5(morpholin4ylmethyl)4phenyl4H124triazol3yl)sulfanyl)1(3nitrophenyl)ethanone
2(5(MORPHOLIN4YLMETHYL)4PHENYL(124TRIAZOL3YLTHIO))1(3NITROPHENYL)ETHAN1ONE
C1COCCN1CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC21H21N5O4Sc2719(1654818(1316)26(28)29)153121232220(142491130121024)25(21)176213717h1813H9121415H2
MFCD05855312
O=C(c1cccc(c1)(N+)(=O)(O))CSc1nnc(n1c1ccccc1)CN1CCOCC1
ZINC000012377104
ZINC12377104
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