Vitas-M small molecule compound

4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-oxobutanamide

Catalog ID
STL053903
SMILES CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2cccc(c2C)C)/s1)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 C22H31N5O2S MW 429.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N5O2S/c1-15(2)14-20-24-25-22(30-20)23-19(28)8-9-21(29)27-12-10-26(11-13-27)18-7-5-6-16(3)17(18)4/h5-7,15H,8-14H2,1-4H3,(H,23,25,28)
InChIKey
NUIIVSNJSJBFQE-UHFFFAOYSA-N
Synonyms
713130-04-2
4(4(23dimethylphenyl)piperazin1yl)N((2Z)5(2methylpropyl)134thiadiazol2(3H)ylidene)4oxobutanamide
4(4(23DIMETHYLPHENYL)PIPERAZIN1YL)N(5(2METHYLPROPYL)134THIADIAZOL2YL)4OXOBUTANAMIDE
713130042
CC(Cc1n(nH)c(=NC(=O)CCC(=O)N2CCN(CC2)c2cccc(c2C)C)s1)C
CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)CC(C)C)C
InChI=1SC22H31N5O2Sc115(2)1420242522(3020)2319(28)8921(29)27121026(111327)1875616(3)17(18)4h5715H814H214H3(H232528)
MFCD05727464
ZINC000002414497
ZINC02414497
ZINC2414497

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Available files

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