Vitas-M small molecule compound
4-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-propyl-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Catalog ID
STL052711
SMILES CCCc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)Cc2ccc(cc2C)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 C22H31N5O2S MW 429.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N5O2S/c1-4-5-20-24-25-22(30-20)23-19(28)8-9-21(29)27-12-10-26(11-13-27)15-18-7-6-16(2)14-17(18)3/h6-7,14H,4-5,8-13,15H2,1-3H3,(H,23,25,28)InChIKey
JJHNEOXHRLSHLL-UHFFFAOYSA-NSynonyms
713092-12-74(4((24DIMETHYLPHENYL)METHYL)PIPERAZIN1YL)4OXON(5PROPYL134THIADIAZOL2YL)BUTANAMIDE
4(4(24dimethylbenzyl)piperazin1yl)4oxoN((2Z)5propyl134thiadiazol2(3H)ylidene)butanamide
4(4(24DIMETHYLBENZYL)PIPERAZIN1YL)4OXON(5PROPYL134THIADIAZOL2YL)BUTANAMIDE
713092127
CCCC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=C(C=C(C=C3)C)C
CCCc1n(nH)c(=NC(=O)CCC(=O)N2CCN(CC2)Cc2ccc(cc2C)C)s1
InChI=1SC22H31N5O2Sc14520242522(3020)2319(28)8921(29)27121026(111327)15187616(2)1417(18)3h6714H4581315H213H3(H232528)
MFCD05725412
ZINC000020393702
ZINC20393702
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