Vitas-M small molecule compound
(4Z)-4-{2-[4-(azepan-1-ylsulfonyl)phenyl]hydrazinylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK056404
SMILES NC(=S)N1N=C(/C(=N/Nc2ccc(cc2)S(=O)(=O)N2CCCCCC2)/C1=O)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 C17H22N6O3S2 MW 422.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22N6O3S2/c1-12-15(16(24)23(21-12)17(18)27)20-19-13-6-8-14(9-7-13)28(25,26)22-10-4-2-3-5-11-22/h6-9,19H,2-5,10-11H2,1H3,(H2,18,27)/b20-15-InChIKey
RXMFMKHTMWSNBI-HKWRFOASSA-NSynonyms
(4Z)4((4(AZEPAN1YLSULFONYL)PHENYL)HYDRAZINYLIDENE)3METHYL5OXOPYRAZOLE1CARBOTHIOAMIDE
(4Z)4(2(4(AZEPAN1YLSULFONYL)PHENYL)HYDRAZINYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
4((4(AZEPAN1YLSULFONYL)PHENYL)HYDRAZONO)3METHYL5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
CC1=NN(C(=O)C1=NNC2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3)C(=S)N
InChI=1SC17H22N6O3S2c11215(16(24)23(2112)17(18)27)2019136814(9713)28(2526)221042351122h6919H251011H21H3(H21827)b2015
MFCD01996297
NC(=S)N1N=C(C(=NNc2ccc(cc2)S(=O)(=O)N2CCCCCC2)C1=O)C
STK056404
ZINC000012413011
ZINC100150442
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