Vitas-M small molecule compound

(2E)-4-[(4-{(1Z)-1-[2-(naphthalen-2-ylsulfonyl)hydrazinylidene]ethyl}phenyl)amino]-4-oxobut-2-enoic acid

Catalog ID
STK471173
SMILES O=C(Nc1ccc(cc1)/C(=N\NS(=O)(=O)c1ccc2c(c1)cccc2)/C)/C=C/C(=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 C22H19N3O5S MW 437.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19N3O5S/c1-15(16-6-9-19(10-7-16)23-21(26)12-13-22(27)28)24-25-31(29,30)20-11-8-17-4-2-3-5-18(17)14-20/h2-14,25H,1H3,(H,23,26)(H,27,28)/b13-12+,24-15-
InChIKey
KBMQUUBYBLVLCL-MWIIGANGSA-N
Synonyms

(2E)3(N(4((1Z)1METHYL2((2NAPHTHYLSULFONYL)AMINO)2AZAVINYL)PHENYL)CARBAMOYL)PROP2ENOICACID
(2E)4((4((1Z)1(2(naphthalen2ylsulfonyl)hydrazinylidene)ethyl)phenyl)amino)4oxobut2enoicacid
(E)4(4((Z)CmethylN(naphthalen2ylsulfonylamino)carbonimidoyl)anilino)4oxobut2enoicacid
CC(=NNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)C3=CC=C(C=C3)NC(=O)C=CC(=O)O
InChI=1SC22H19N3O5Sc115(166919(10716)2321(26)121322(27)28)242531(2930)2011817423518(17)1420h21425H1H3(H2326)(H2728)b1312+2415
MFCD09591179
O=C(Nc1ccc(cc1)C(=NNS(=O)(=O)c1ccc2c(c1)cccc2)C)C=CC(=O)O
ZINC000017101339
ZINC20159790

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Available files

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