Vitas-M small molecule compound
N-[(2Z)-5-cyclohexyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide
Catalog ID
STL048819
SMILES O=C(N1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])CCC(=O)/N=c\1/[nH]nc(s1)C1CCCCC1
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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 C22H28N6O4S MW 472.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N6O4S/c29-19(23-22-25-24-21(33-22)16-4-2-1-3-5-16)10-11-20(30)27-14-12-26(13-15-27)17-6-8-18(9-7-17)28(31)32/h6-9,16H,1-5,10-15H2,(H,23,25,29)InChIKey
ZSRWDSJZAYDTPK-UHFFFAOYSA-NSynonyms
713089-71-5713089715
C1CCC(CC1)C2=NN=C(S2)NC(=O)CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC22H28N6O4Sc2919(2322252421(3322)164213516)101120(30)27141226(131527)176818(9717)28(31)32h6916H151015H2(H232529)
MFCD05725120
N((2Z)5cyclohexyl134thiadiazol2(3H)ylidene)4(4(4nitrophenyl)piperazin1yl)4oxobutanamide
N(5CYCLOHEXYL134THIADIAZOL2YL)4(4(4NITROPHENYL)PIPERAZIN1YL)4OXOBUTANAMIDE
O=C(N1CCN(CC1)c1ccc(cc1)(N+)(=O)(O))CCC(=O)N=c1(nH)nc(s1)C1CCCCC1
ZINC000009242606
ZINC09242606
ZINC9242606
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