Vitas-M small molecule compound
N-cyclopentyl-2-({4-methyl-5-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Catalog ID
STK771939
SMILES O=C(NC1CCCC1)CSc1nnc(n1C)Cn1cnc(n1)[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 C13H18N8O3S MW 366.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18N8O3S/c1-19-10(6-20-8-14-12(18-20)21(23)24)16-17-13(19)25-7-11(22)15-9-4-2-3-5-9/h8-9H,2-7H2,1H3,(H,15,22)InChIKey
VCCMPFNBNCCGEJ-UHFFFAOYSA-NSynonyms
CN1C(=NN=C1SCC(=O)NC2CCCC2)CN3C=NC(=N3)(N+)(=O)(O)
InChI=1SC13H18N8O3Sc11910(62081412(1820)21(23)24)161713(19)25711(22)15942359h89H27H21H3(H1522)
MFCD03767848
NCYCLOPENTYL2((4METHYL5((3NITRO124TRIAZOL1YL)METHYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
Ncyclopentyl2((4methyl5((3nitro1H124triazol1yl)methyl)4H124triazol3yl)sulfanyl)acetamide
NCYCLOPENTYL2(4METHYL5((3NITRO(124TRIAZOLYL))METHYL)(124TRIAZOL3YLTHIO))ACETAMIDE
O=C(NC1CCCC1)CSc1nnc(n1C)Cn1cnc(n1)(N+)(=O)(O)
ZINC000003624428
ZINC03624428
ZINC3624428
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