Vitas-M small molecule compound

4-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide

Catalog ID
STL151237
SMILES CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)C)/s1

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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 C20H27N5O4S2 MW 465.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5O4S2/c1-3-4-18-22-23-20(30-18)21-17(26)9-10-19(27)24-11-13-25(14-12-24)31(28,29)16-7-5-15(2)6-8-16/h5-8H,3-4,9-14H2,1-2H3,(H,21,23,26)
InChIKey
HSABYUACRWRTMX-UHFFFAOYSA-N
Synonyms
714246-94-3
4(4((4methylphenyl)sulfonyl)piperazin1yl)4oxoN((2Z)5propyl134thiadiazol2(3H)ylidene)butanamide
4(4((4METHYLPHENYL)SULFONYL)PIPERAZIN1YL)4OXON(5PROPYL134THIADIAZOL2YL)BUTANAMIDE
4(4(4METHYLPHENYL)SULFONYLPIPERAZIN1YL)4OXON(5PROPYL134THIADIAZOL2YL)BUTANAMIDE
4OXON(5PROPYL(134)THIADIAZOL2YL)4(4(TOLUENE4SULFONYL)PIPERAZIN1YL)BUTYRAMIDE
714246943
CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C
CCCc1n(nH)c(=NC(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)c2ccc(cc2)C)s1
InChI=1SC20H27N5O4S2c13418222320(3018)2117(26)91019(27)24111325(141224)31(2829)167515(2)6816h58H34914H212H3(H212326)
MFCD05731290
ZINC000017247047
ZINC17247047

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Available files

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