Vitas-M small molecule compound
4-{4-[2-(naphthalen-1-yloxy)ethyl]piperazin-1-yl}-4-oxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]butanamide
Catalog ID
STL048120
SMILES O=C(/N=c\1/[nH]nc(s1)C(C)C)CCC(=O)N1CCN(CC1)CCOc1cccc2c1cccc2
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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 C25H31N5O3S MW 481.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31N5O3S/c1-18(2)24-27-28-25(34-24)26-22(31)10-11-23(32)30-14-12-29(13-15-30)16-17-33-21-9-5-7-19-6-3-4-8-20(19)21/h3-9,18H,10-17H2,1-2H3,(H,26,28,31)InChIKey
XABBWYVQOCTNOZ-UHFFFAOYSA-NSynonyms
714920-98-64(4(2(naphthalen1yloxy)ethyl)piperazin1yl)4oxoN((2Z)5(propan2yl)134thiadiazol2(3H)ylidene)butanamide
4(4(2NAPHTHALEN1YLOXYETHYL)PIPERAZIN1YL)4OXON(5PROPAN2YL134THIADIAZOL2YL)BUTANAMIDE
714920986
CC(C)C1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)CCOC3=CC=CC4=CC=CC=C43
InChI=1SC25H31N5O3Sc118(2)24272825(3424)2622(31)101123(32)30141229(131530)1617332195719634820(19)21h3918H1017H212H3(H262831)
MFCD05733176
O=C(N=c1(nH)nc(s1)C(C)C)CCC(=O)N1CCN(CC1)CCOc1cccc2c1cccc2
ZINC000013776325
ZINC13776325
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