Vitas-M small molecule compound

4-[2-({(1Z)-1-[1-(1,3-benzothiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)ethyl]-N-(4-chlorophenyl)piperazine-1-carboxamide

Catalog ID
STK056958
SMILES Clc1ccc(cc1)NC(=O)N1CCN(CC1)CCN/C(=C\1/C(=NN(C1=O)c1nc2c(s1)cccc2)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 C26H28ClN7O2S MW 538.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28ClN7O2S/c1-17(23-18(2)31-34(24(23)35)26-30-21-5-3-4-6-22(21)37-26)28-11-12-32-13-15-33(16-14-32)25(36)29-20-9-7-19(27)8-10-20/h3-10,28H,11-16H2,1-2H3,(H,29,36)/b23-17-
InChIKey
GHGSCWJQAYTCRD-QJOMJCCJSA-N
Synonyms

(Z)4(2((1(1(benzo(d)thiazol2yl)3methyl5oxo1Hpyrazol4(5H)ylidene)ethyl)amino)ethyl)N(4chlorophenyl)piperazine1carboxamide
4(2(((1Z)1(1(13BENZOTHIAZOL2YL)3METHYL5OXO15DIHYDRO4HPYRAZOL4YLIDENE)ETHYL)AMINO)ETHYL)N(4CHLOROPHENYL)PIPERAZINE1CARBOXAMIDE
4(2(((1Z)1(1(13BENZOTHIAZOL2YL)3METHYL5OXOPYRAZOL4YLIDENE)ETHYL)AMINO)ETHYL)N(4CHLOROPHENYL)PIPERAZINE1CARBOXAMIDE
CC1=NN(C(=O)C1=C(C)NCCN2CCN(CC2)C(=O)NC3=CC=C(C=C3)Cl)C4=NC5=CC=CC=C5S4
Clc1ccc(cc1)NC(=O)N1CCN(CC1)CCNC(=C1C(=NN(C1=O)c1nc2c(s1)cccc2)C)C
InChI=1SC26H28ClN7O2Sc117(2318(2)3134(24(23)35)263021534622(21)3726)28111232131533(161432)25(36)29209719(27)81020h31028H1116H212H3(H2936)b2317
MFCD03677430
STK056958
ZINC000100970845
ZINC100970845

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.