Vitas-M small molecule compound
4-(4-benzylpiperazin-1-yl)-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Catalog ID
STL054382
SMILES CC(c1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)Cc2ccccc2)/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 C20H27N5O2S MW 401.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N5O2S/c1-15(2)19-22-23-20(28-19)21-17(26)8-9-18(27)25-12-10-24(11-13-25)14-16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3,(H,21,23,26)InChIKey
PQSOPPMWZBJIIE-UHFFFAOYSA-NSynonyms
713127-52-74(4benzylpiperazin1yl)4oxoN((2Z)5(propan2yl)134thiadiazol2(3H)ylidene)butanamide
4(4BENZYLPIPERAZIN1YL)4OXON(5PROPAN2YL134THIADIAZOL2YL)BUTANAMIDE
713127527
CC(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CC3=CC=CC=C3
CC(c1n(nH)c(=NC(=O)CCC(=O)N2CCN(CC2)Cc2ccccc2)s1)C
InChI=1SC20H27N5O2Sc115(2)19222320(2819)2117(26)8918(27)25121024(111325)14166435716h3715H814H212H3(H212326)
MFCD05727013
ZINC000020358171
ZINC20358171
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