Vitas-M small molecule compound

2-(1,3-benzoxazol-2-ylsulfanyl)-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide

Catalog ID
STK543352
SMILES O=C(CSc1nc2c(o1)cccc2)N/N=C/c1cc(ccc1Cl)[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 C16H11ClN4O4S MW 390.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClN4O4S/c17-12-6-5-11(21(23)24)7-10(12)8-18-20-15(22)9-26-16-19-13-3-1-2-4-14(13)25-16/h1-8H,9H2,(H,20,22)/b18-8+
InChIKey
YOSPGCQDQPXWIK-QGMBQPNBSA-N
Synonyms
488853-81-2
(E)2(benzo(d)oxazol2ylthio)N(2chloro5nitrobenzylidene)acetohydrazide
2(13benzoxazol2ylsulfanyl)N((E)(2chloro5nitrophenyl)methylidene)acetohydrazide
2(13BENZOXAZOL2YLSULFANYL)N((E)(2CHLORO5NITROPHENYL)METHYLIDENEAMINO)ACETAMIDE
488853812
C1=CC=C2C(=C1)N=C(O2)SCC(=O)NN=CC3=C(C=CC(=C3)(N+)(=O)(O))Cl
InChI=1SC16H11ClN4O4Sc17126511(21(23)24)710(12)8182015(22)926161913312414(13)2516h18H9H2(H2022)b188+
MFCD03218437
N((1E)2(2CHLORO5NITROPHENYL)1AZAVINYL)2BENZOXAZOL2YLTHIOACETAMIDE
O=C(CSc1nc2c(o1)cccc2)NN=Cc1cc(ccc1Cl)(N+)(=O)(O)
ZINC000001309480
ZINC33334836

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Available files

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