Vitas-M small molecule compound
3-(4-chloro-3-nitro-1H-pyrazol-1-yl)-1-{4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl}propan-1-one
Catalog ID
STK311987
SMILES O=C(N1CCN(CC1)S(=O)(=O)c1cnn(c1)C)CCn1cc(c(n1)[N+](=O)[O-])Cl
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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 C14H18ClN7O5S MW 431.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18ClN7O5S/c1-18-9-11(8-16-18)28(26,27)21-6-4-19(5-7-21)13(23)2-3-20-10-12(15)14(17-20)22(24)25/h8-10H,2-7H2,1H3InChIKey
CCGGLNNJJQWKNN-UHFFFAOYSA-NSynonyms
1005638-25-41005638254
3(4chloro3nitro1Hpyrazol1yl)1(4((1methyl1Hpyrazol4yl)sulfonyl)piperazin1yl)propan1one
3(4chloro3nitropyrazol1yl)1(4(1methylpyrazol4yl)sulfonylpiperazin1yl)propan1one
CN1C=C(C=N1)S(=O)(=O)N2CCN(CC2)C(=O)CCN3C=C(C(=N3)(N+)(=O)(O))Cl
InChI=1SC14H18ClN7O5Sc118911(81618)28(2627)216419(5721)13(23)23201012(15)14(1720)22(24)25h810H27H21H3
MFCD04140545
O=C(N1CCN(CC1)S(=O)(=O)c1cnn(c1)C)CCn1cc(c(n1)(N+)(=O)(O))Cl
ZINC000002731357
ZINC02731357
ZINC2731357
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