Vitas-M small molecule compound

2-{[4-methyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone

Catalog ID
STK154281
SMILES O=C(N1CCCC1)CSc1nnc(n1C)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 C15H17N5O3S MW 347.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N5O3S/c1-18-14(11-4-6-12(7-5-11)20(22)23)16-17-15(18)24-10-13(21)19-8-2-3-9-19/h4-7H,2-3,8-10H2,1H3
InChIKey
XLHDWAOFQWBQGQ-UHFFFAOYSA-N
Synonyms

2((4METHYL5(4NITROPHENYL)124TRIAZOL3YL)SULFANYL)1PYRROLIDIN1YLETHANONE
2((4METHYL5(4NITROPHENYL)4H124TRIAZOL3YL)SULFANYL)1(PYRROLIDIN1YL)ETHANONE
CN1C(=NN=C1SCC(=O)N2CCCC2)C3=CC=C(C=C3)(N+)(=O)(O)
InChI=1SC15H17N5O3Sc11814(114612(7511)20(22)23)161715(18)241013(21)19823919h47H23810H21H3
MFCD04209299
O=C(N1CCCC1)CSc1nnc(n1C)c1ccc(cc1)(N+)(=O)(O)
ZINC000000467237
ZINC00467237
ZINC467237

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Available files

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