Vitas-M small molecule compound

phenyl 2-{3-(phenoxysulfonyl)-4-[(E)-2-phenylethenyl]phenyl}-2H-naphtho[1,2-d][1,2,3]triazole-6-sulfonate

Catalog ID
STK368427
SMILES O=S(=O)(c1cc(ccc1/C=C/c1ccccc1)n1nc2c(n1)c1cccc(c1cc2)S(=O)(=O)Oc1ccccc1)Oc1ccccc1

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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 C36H25N3O6S2 MW 659.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H25N3O6S2/c40-46(41,44-29-13-6-2-7-14-29)34-18-10-17-32-31(34)23-24-33-36(32)38-39(37-33)28-22-21-27(20-19-26-11-4-1-5-12-26)35(25-28)47(42,43)45-30-15-8-3-9-16-30/h1-25H/b20-19+
InChIKey
IJJFAFOCFQFGCY-FMQUCBEESA-N
Synonyms

C1=CC=C(C=C1)C=CC2=C(C=C(C=C2)N3N=C4C=CC5=C(C4=N3)C=CC=C5S(=O)(=O)OC6=CC=CC=C6)S(=O)(=O)OC7=CC=CC=C7
InChI=1SC36H25N3O6S2c4046(414429136271429)341810173231(34)23243336(32)3839(3733)28222127(201926114151226)35(2528)47(4243)4530158391630h125Hb2019+
MFCD00582522
O=S(=O)(c1cc(ccc1C=Cc1ccccc1)n1nc2c(n1)c1cccc(c1cc2)S(=O)(=O)Oc1ccccc1)Oc1ccccc1
PHENYL2((1E)2PHENYLVINYL)5(6(PHENOXYSULFONYL)(2HYDROBENZO(E)BENZOTRIAZOL2YL))BENZENESULFONATE
phenyl2(3(phenoxysulfonyl)4((E)2phenylethenyl)phenyl)2Hnaphtho(12d)(123)triazole6sulfonate
PHENYL2(3(PHENOXYSULFONYL)4(2PHENYLVINYL)PHENYL)2HNAPHTHO(12D)(123)TRIAZOLE6SULFONATE
PHENYL2(3PHENOXYSULFONYL4((E)2PHENYLETHENYL)PHENYL)BENZO(E)BENZOTRIAZOLE6SULFONATE
ZINC000004016627
ZINC04016627
ZINC4016627

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Available files

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