Vitas-M small molecule compound

2-{(1E)-2-cyano-3-[(4-methoxy-2-nitrophenyl)amino]-3-oxoprop-1-en-1-yl}phenyl naphthalene-2-sulfonate

Catalog ID
STK380358
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)/C(=C/c1ccccc1OS(=O)(=O)c1ccc2c(c1)cccc2)/C#N

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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 C27H19N3O7S MW 529.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H19N3O7S/c1-36-22-11-13-24(25(16-22)30(32)33)29-27(31)21(17-28)14-20-8-4-5-9-26(20)37-38(34,35)23-12-10-18-6-2-3-7-19(18)15-23/h2-16H,1H3,(H,29,31)/b21-14+
InChIKey
VGWAULZQCZITFB-KGENOOAVSA-N
Synonyms

(2((E)2CYANO3(4METHOXY2NITROANILINO)3OXOPROP1ENYL)PHENYL)NAPHTHALENE2SULFONATE
2((1E)2CYANO2(N(4METHOXY2NITROPHENYL)CARBAMOYL)VINYL)PHENYLNAPHTHALENE2SULFONATE
2((1E)2cyano3((4methoxy2nitrophenyl)amino)3oxoprop1en1yl)phenylnaphthalene2sulfonate
COC1=CC(=C(C=C1)NC(=O)C(=CC2=CC=CC=C2OS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C#N)(N+)(=O)(O)
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)C(=Cc1ccccc1OS(=O)(=O)c1ccc2c(c1)cccc2)C#N
InChI=1SC27H19N3O7Sc13622111324(25(1622)30(32)33)2927(31)21(1728)1420845926(20)3738(3435)23121018623719(18)1523h216H1H3(H2931)b2114+
MFCD02314181
ZINC000102073584
ZINC102073584

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Available files

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