Vitas-M small molecule compound
(4Z)-4-[2-(4-iodo-2-methylphenyl)hydrazinylidene]-3-(4-nitrophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-1-carbothioamide
Catalog ID
STK062467
SMILES Ic1ccc(c(c1)C)N/N=C\1/C(=NN(C1=O)C(=S)N)c1ccc(cc1)[N+](=O)[O-]
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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 C17H13IN6O3S MW 508.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13IN6O3S/c1-9-8-11(18)4-7-13(9)20-21-15-14(22-23(16(15)25)17(19)28)10-2-5-12(6-3-10)24(26)27/h2-8,20H,1H3,(H2,19,28)/b21-15-InChIKey
LYCXGCNIEONVPU-QNGOZBTKSA-NSynonyms
(4Z)4((4IODO2METHYLPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXOPYRAZOLE1CARBOTHIOAMIDE
(4Z)4(2(4IODO2METHYLPHENYL)HYDRAZINYLIDENE)3(4NITROPHENYL)5OXO45DIHYDRO1HPYRAZOLE1CARBOTHIOAMIDE
CC1=C(C=CC(=C1)I)NN=C2C(=NN(C2=O)C(=S)N)C3=CC=C(C=C3)(N+)(=O)(O)
Ic1ccc(c(c1)C)NN=C1C(=NN(C1=O)C(=S)N)c1ccc(cc1)(N+)(=O)(O)
InChI=1SC17H13IN6O3Sc19811(18)4713(9)20211514(2223(16(15)25)17(19)28)102512(6310)24(26)27h2820H1H3(H21928)b2115
MFCD01418918
STK062467
ZINC000013897095
ZINC101459586
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