Vitas-M small molecule compound
6',6'-dimethyl-2-phenyl-2'-thioxo-2,2',3,3',5',6'-hexahydro-1'H-spiro[chromene-4,4'-pyrimidin]-7-yl 2-nitrobenzenesulfonate
Catalog ID
STK675034
SMILES S=C1NC(C)(C)CC2(N1)CC(Oc1c2ccc(c1)OS(=O)(=O)c1ccccc1[N+](=O)[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 C26H25N3O6S2 MW 539.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O6S2/c1-25(2)16-26(28-24(36)27-25)15-22(17-8-4-3-5-9-17)34-21-14-18(12-13-19(21)26)35-37(32,33)23-11-7-6-10-20(23)29(30)31/h3-14,22H,15-16H2,1-2H3,(H2,27,28,36)InChIKey
HFLKURUFCFVKQL-UHFFFAOYSA-NSynonyms
(44dimethyl2phenyl2sulfanylidenespiro(13diazinane6423dihydrochromene)7yl)2nitrobenzenesulfonate
66dimethyl2phenyl2thioxo223356hexahydro1Hspiro(chromene44pyrimidin)7yl2nitrobenzenesulfonate
CC1(CC2(CC(OC3=C2C=CC(=C3)OS(=O)(=O)C4=CC=CC=C4(N+)(=O)(O))C5=CC=CC=C5)NC(=S)N1)C
InChI=1SC26H25N3O6S2c125(2)1626(2824(36)2725)1522(178435917)34211418(121319(21)26)3537(3233)2311761020(23)29(30)31h31422H1516H212H3(H2272836)
MFCD01572354
S=C1NC(C)(C)CC2(N1)CC(Oc1c2ccc(c1)OS(=O)(=O)c1ccccc1(N+)(=O)(O))c1ccccc1
ZINC000003668412
ZINC000003668415
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