Vitas-M small molecule compound
2-{[4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethanone
Catalog ID
STK130059
SMILES O=C(N1CCOCC1)CSc1nnc(n1Cc1ccccc1)c1ccc(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 C21H21N5O4S MW 439.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O4S/c27-19(24-10-12-30-13-11-24)15-31-21-23-22-20(17-6-8-18(9-7-17)26(28)29)25(21)14-16-4-2-1-3-5-16/h1-9H,10-15H2InChIKey
BQMJCRITURRQDK-UHFFFAOYSA-NSynonyms
2((4BENZYL5(4NITROPHENYL)124TRIAZOL3YL)SULFANYL)1MORPHOLIN4YLETHANONE
2((4BENZYL5(4NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)1(MORPHOLIN4YL)ETHANONE
C1COCCN1C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H21N5O4Sc2719(24101230131124)153121232220(176818(9717)26(28)29)25(21)14164213516h19H1015H2
MFCD04209779
O=C(N1CCOCC1)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)(N+)(=O)(O)
ZINC000001144634
ZINC01144634
ZINC1144634
Check stock
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