Vitas-M small molecule compound
(4-{3-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-4-nitrophenyl}piperazin-1-yl)(phenyl)methanone
Catalog ID
STK206030
SMILES [O-][N+](=O)c1ccc(cc1Sc1nncn1C)N1CCN(CC1)C(=O)c1ccccc1
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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 C20H20N6O3S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N6O3S/c1-23-14-21-22-20(23)30-18-13-16(7-8-17(18)26(28)29)24-9-11-25(12-10-24)19(27)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3InChIKey
JJIAFAXTGRCECQ-UHFFFAOYSA-NSynonyms
(4(3((4METHYL124TRIAZOL3YL)SULFANYL)4NITROPHENYL)PIPERAZIN1YL)PHENYLMETHANONE
(4(3((4METHYL4H124TRIAZOL3YL)SULFANYL)4NITROPHENYL)PIPERAZIN1YL)(PHENYL)METHANONE
(O)(N+)(=O)c1ccc(cc1Sc1nncn1C)N1CCN(CC1)C(=O)c1ccccc1
CN1C=NN=C1SC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=CC=CC=C4)(N+)(=O)(O)
InChI=1SC20H20N6O3Sc12314212220(23)30181316(7817(18)26(28)29)2491125(121024)19(27)155324615h281314H912H21H3
MFCD06182182
ZINC000009971828
ZINC09971828
ZINC9971828
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