Vitas-M small molecule compound
4-[4-(2,4-dimethylbenzyl)piperazin-1-yl]-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Catalog ID
STL057801
SMILES Cc1ccc(c(c1)C)CN1CCN(CC1)C(=O)CCC(=O)/N=c\1/[nH]nc(s1)C(C)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)21-24-25-22(30-21)23-19(28)7-8-20(29)27-11-9-26(10-12-27)14-18-6-5-16(3)13-17(18)4/h5-6,13,15H,7-12,14H2,1-4H3,(H,23,25,28)InChIKey
GGWRQYZWMHIKBS-UHFFFAOYSA-NSynonyms
714226-14-94(4((24DIMETHYLPHENYL)METHYL)PIPERAZIN1YL)4OXON(5PROPAN2YL134THIADIAZOL2YL)BUTANAMIDE
4(4(24dimethylbenzyl)piperazin1yl)4oxoN((2Z)5(propan2yl)134thiadiazol2(3H)ylidene)butanamide
714226149
CC1=CC(=C(C=C1)CN2CCN(CC2)C(=O)CCC(=O)NC3=NN=C(S3)C(C)C)C
Cc1ccc(c(c1)C)CN1CCN(CC1)C(=O)CCC(=O)N=c1(nH)nc(s1)C(C)C
InChI=1SC22H31N5O2Sc115(2)21242522(3021)2319(28)7820(29)2711926(101227)14186516(3)1317(18)4h561315H71214H214H3(H232528)
MFCD05727870
ZINC000001257153
ZINC01257153
ZINC1257153
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