Vitas-M small molecule compound

4-[(E)-(2-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(phenylcarbonyl)amino]prop-2-enoyl}hydrazinylidene)methyl]-2-methoxyphenyl thiophene-2-carboxylate

Catalog ID
STK513874
SMILES COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)/NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1

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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 C30H23N3O7S MW 569.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23N3O7S/c1-37-25-16-20(10-12-24(25)40-30(36)27-8-5-13-41-27)17-31-33-29(35)22(32-28(34)21-6-3-2-4-7-21)14-19-9-11-23-26(15-19)39-18-38-23/h2-17H,18H2,1H3,(H,32,34)(H,33,35)/b22-14+,31-17+
InChIKey
RTJLOYZNAWBDRZ-UHZIXXCBSA-N
Synonyms

(4((E)(((E)2benzamido3(13benzodioxol5yl)prop2enoyl)hydrazinylidene)methyl)2methoxyphenyl)thiophene2carboxylate
4((E)(2((2E)3(13benzodioxol5yl)2((phenylcarbonyl)amino)prop2enoyl)hydrazinylidene)methyl)2methoxyphenylthiophene2carboxylate
COC1=C(C=CC(=C1)C=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CS5
COc1cc(C=NNC(=O)C(=Cc2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1OC(=O)c1cccs1
InChI=1SC30H23N3O7Sc137251620(101224(25)4030(36)2785134127)17313329(35)22(3228(34)216324721)14199112326(1519)39183823h217H18H21H3(H3234)(H3335)b2214+3117+
MFCD01129435
ZINC000097964205
ZINC102276285

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Available files

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