Vitas-M small molecule compound

4-[3-({[(2E)-2-{(3E)-4-[4-(dimethylamino)phenyl]but-3-en-2-ylidene}hydrazinyl](imino)methyl}sulfanyl)-2,5-dioxopyrrolidin-1-yl]benzoic acid

Catalog ID
STK673567
SMILES N=C(SC1CC(=O)N(C1=O)c1ccc(cc1)C(=O)O)N/N=C(/C=C/c1ccc(cc1)N(C)C)\C

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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 C24H25N5O4S MW 479.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N5O4S/c1-15(4-5-16-6-10-18(11-7-16)28(2)3)26-27-24(25)34-20-14-21(30)29(22(20)31)19-12-8-17(9-13-19)23(32)33/h4-13,20H,14H2,1-3H3,(H2,25,27)(H,32,33)/b5-4+,26-15+
InChIKey
JWNVEWPCHLOLHW-KDHSSDPGSA-N
Synonyms
311785-83-8
311785838
4(3((((1E3E)4(4(DIMETHYLAMINO)PHENYL)2METHYL1AZABUTA13DIENYL)AMINO)IMINOMETHYLTHIO)25DIOXOAZOLIDINYL)BENZOICACID
4(3((((2E)2((3E)4(4(dimethylamino)phenyl)but3en2ylidene)hydrazinyl)(imino)methyl)sulfanyl)25dioxopyrrolidin1yl)benzoicacid
4(3(((2(3(4(DIMETHYLAMINO)PHENYL)1METHYL2PROPEN1YLIDENE)HYDRAZINO)(IMINO)METHYL)THIO)25DIOXO1PYRROLIDINYL)BENZOICACID
4(3((E)N((E)((E)4(4(dimethylamino)phenyl)but3en2ylidene)amino)carbamimidoyl)sulfanyl25dioxopyrrolidin1yl)benzoicacid
CC(=NN=C(N)SC1CC(=O)N(C1=O)C2=CC=C(C=C2)C(=O)O)C=CC3=CC=C(C=C3)N(C)C
InChI=1SC24H25N5O4Sc115(451661018(11716)28(2)3)262724(25)34201421(30)29(22(20)31)1912817(91319)23(32)33h41320H14H213H3(H22527)(H3233)b54+2615+
MFCD01036547
N=C(SC1CC(=O)N(C1=O)c1ccc(cc1)C(=O)O)NN=C(C=Cc1ccc(cc1)N(C)C)C
ZINC000013132522
ZINC000100059363

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Available files

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