Vitas-M small molecule compound
N-[(2Z)-5-(2-methylpropyl)-1,3,4-thiadiazol-2(3H)-ylidene]-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobutanamide
Catalog ID
STK569718
SMILES CC(Cc1n[nH]/c(=N/C(=O)CCC(=O)N2CCN(CC2)c2ccc(cc2)[N+](=O)[O-])/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 C20H26N6O4S MW 446.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N6O4S/c1-14(2)13-18-22-23-20(31-18)21-17(27)7-8-19(28)25-11-9-24(10-12-25)15-3-5-16(6-4-15)26(29)30/h3-6,14H,7-13H2,1-2H3,(H,21,23,27)InChIKey
PJKFJCUJQVHPNW-UHFFFAOYSA-NSynonyms
713091-28-2713091282
CC(C)CC1=NN=C(S1)NC(=O)CCC(=O)N2CCN(CC2)C3=CC=C(C=C3)(N+)(=O)(O)
CC(Cc1n(nH)c(=NC(=O)CCC(=O)N2CCN(CC2)c2ccc(cc2)(N+)(=O)(O))s1)C
InChI=1SC20H26N6O4Sc114(2)1318222320(3118)2117(27)7819(28)2511924(101225)153516(6415)26(29)30h3614H713H212H3(H212327)
MFCD05725275
N((2Z)5(2methylpropyl)134thiadiazol2(3H)ylidene)4(4(4nitrophenyl)piperazin1yl)4oxobutanamide
N(5(2METHYLPROPYL)134THIADIAZOL2YL)4(4(4NITROPHENYL)PIPERAZIN1YL)4OXOBUTANAMIDE
ZINC000009244573
ZINC09244573
ZINC9244573
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