Vitas-M small molecule compound
2-{[4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
Catalog ID
STK135401
SMILES O=C(N1CCCC1)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 C21H21N5O3S MW 423.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O3S/c27-19(24-12-4-5-13-24)15-30-21-23-22-20(17-8-10-18(11-9-17)26(28)29)25(21)14-16-6-2-1-3-7-16/h1-3,6-11H,4-5,12-15H2InChIKey
AZVRGBFLLCFVJV-UHFFFAOYSA-NSynonyms
2((4BENZYL5(4NITROPHENYL)124TRIAZOL3YL)SULFANYL)1PYRROLIDIN1YLETHANONE
2((4BENZYL5(4NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)1(PYRROLIDIN1YL)ETHANONE
C1CCN(C1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC21H21N5O3Sc2719(2412451324)153021232220(1781018(11917)26(28)29)25(21)14166213716h13611H451215H2
MFCD04209754
O=C(N1CCCC1)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)(N+)(=O)(O)
ZINC000001144422
ZINC01144422
ZINC1144422
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