Vitas-M small molecule compound
4-({5-[(4-nitrobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)morpholine
Catalog ID
STL380896
SMILES [O-][N+](=O)c1ccc(cc1)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 C20H21N5O3S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O3S/c26-25(27)18-8-6-16(7-9-18)15-29-20-22-21-19(14-23-10-12-28-13-11-23)24(20)17-4-2-1-3-5-17/h1-9H,10-15H2InChIKey
CFMOSIAYRPWXCV-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1)CSc1nnc(n1c1ccccc1)CN1CCOCC1
4((5((4nitrobenzyl)sulfanyl)4phenyl4H124triazol3yl)methyl)morpholine
4((5((4NITROPHENYL)METHYLSULFANYL)4PHENYL124TRIAZOL3YL)METHYL)MORPHOLINE
C1COCCN1CC2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC20H21N5O3Sc2625(27)188616(7918)152920222119(1423101228131123)24(20)174213517h19H1015H2
MFCD06621119
ZINC000019799434
ZINC19799434
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