Vitas-M small molecule compound

(2E)-2-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}hydrazinecarbothioamide

Catalog ID
STK977470
SMILES NC(=S)N/N=C/c1cccn1c1ccc(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 C12H11N5O2S MW 289.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N5O2S/c13-12(20)15-14-8-11-2-1-7-16(11)9-3-5-10(6-4-9)17(18)19/h1-8H,(H3,13,15,20)/b14-8+
InChIKey
DNYINNZZEWSKFE-RIYZIHGNSA-N
Synonyms

(((1E)2(1(4NITROPHENYL)PYRROL2YL)1AZAVINYL)AMINO)AMINOMETHANE1THIONE
((E)(1(4NITROPHENYL)PYRROL2YL)METHYLIDENEAMINO)THIOUREA
(2E)2((1(4nitrophenyl)1Hpyrrol2yl)methylidene)hydrazinecarbothioamide
C1=CN(C(=C1)C=NNC(=S)N)C2=CC=C(C=C2)(N+)(=O)(O)
InChI=1SC12H11N5O2Sc1312(20)151481121716(11)93510(649)17(18)19h18H(H3131520)b148+
MFCD00637033
NC(=S)NN=Cc1cccn1c1ccc(cc1)(N+)(=O)(O)
ZINC000000081523
ZINC31841295

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Available files

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