Vitas-M small molecule compound
4-methyl-3-{[2-nitro-5-(pyrrolidin-1-yl)phenyl]sulfanyl}-4H-1,2,4-triazole
Catalog ID
STK148652
SMILES [O-][N+](=O)c1ccc(cc1Sc1nncn1C)N1CCCC1
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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 C13H15N5O2S MW 305.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N5O2S/c1-16-9-14-15-13(16)21-12-8-10(17-6-2-3-7-17)4-5-11(12)18(19)20/h4-5,8-9H,2-3,6-7H2,1H3InChIKey
CQGOZCLQOKBTKQ-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1ccc(cc1Sc1nncn1C)N1CCCC1
2(4METHYL(124TRIAZOL3YLTHIO))1NITRO4PYRROLIDINYLBENZENE
3((2NITRO5(1PYRROLIDINYL)PHENYL)SULFANYL)4METHYL4H124TRIAZOLE
4METHYL3((2NITRO5(PYRROLIDIN1YL)PHENYL)SULFANYL)4H124TRIAZOLE
4METHYL3(2NITRO5PYRROLIDIN1YLPHENYL)SULFANYL124TRIAZOLE
CN1C=NN=C1SC2=C(C=CC(=C2)N3CCCC3)(N+)(=O)(O)
InChI=1SC13H15N5O2Sc1169141513(16)2112810(17623717)4511(12)18(19)20h4589H2367H21H3
MFCD02153053
ZINC000004083476
ZINC04083476
ZINC4083476
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