Vitas-M small molecule compound
1-{[3-methoxy-4-(1H-tetrazol-1-yl)phenyl]sulfonyl}-4-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]piperazine
Catalog ID
STK665199
SMILES COc1cc(ccc1n1cnnn1)S(=O)(=O)N1CCN(CC1)c1scc(n1)c1cccc(c1)[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 C21H20N8O5S2 MW 528.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N8O5S2/c1-34-20-12-17(5-6-19(20)28-14-22-24-25-28)36(32,33)27-9-7-26(8-10-27)21-23-18(13-35-21)15-3-2-4-16(11-15)29(30)31/h2-6,11-14H,7-10H2,1H3InChIKey
KVAUYVUNNJPYRU-UHFFFAOYSA-NSynonyms
1((3methoxy4(1Htetrazol1yl)phenyl)sulfonyl)4(4(3nitrophenyl)13thiazol2yl)piperazine
2(4(3methoxy4(tetrazol1yl)phenyl)sulfonylpiperazin1yl)4(3nitrophenyl)13thiazole
COC1=C(C=CC(=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=CS3)C4=CC(=CC=C4)(N+)(=O)(O))N5C=NN=N5
COc1cc(ccc1n1cnnn1)S(=O)(=O)N1CCN(CC1)c1scc(n1)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H20N8O5S2c134201217(5619(20)281422242528)36(3233)279726(81027)212318(133521)1532416(1115)29(30)31h261114H710H21H3
MFCD09063104
ZINC000100226161
ZINC100226161
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