Vitas-M small molecule compound
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Catalog ID
STL051748
SMILES CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2cccc(c2C)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 C21H29N5O2S MW 415.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N5O2S/c1-4-6-19-23-24-21(29-19)22-18(27)9-10-20(28)26-13-11-25(12-14-26)17-8-5-7-15(2)16(17)3/h5,7-8H,4,6,9-14H2,1-3H3,(H,22,24,27)InChIKey
CRMQRYPMTOZHIY-UHFFFAOYSA-NSynonyms
714235-01-54(4(23dimethylphenyl)piperazin1yl)4oxoN((2Z)5propyl134thiadiazol2(3H)ylidene)butanamide
4(4(23DIMETHYLPHENYL)PIPERAZIN1YL)4OXON(5PROPYL134THIADIAZOL2YL)BUTANAMIDE
714235015
CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=CC(=C3C)C
CCCc1n(nH)c(=NC(=O)CCC(=O)N2CCN(CC2)c2cccc(c2C)C)s1
InChI=1SC21H29N5O2Sc14619232421(2919)2218(27)91020(28)26131125(121426)1785715(2)16(17)3h578H46914H213H3(H222427)
MFCD05728856
ZINC000005148595
ZINC05148595
ZINC5148595
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