Vitas-M small molecule compound
3-chloro-N'-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-1-benzothiophene-2-carbohydrazide
Catalog ID
STK415504
SMILES [O-][N+](=O)c1cc2OCOc2cc1/C=N/NC(=O)c1sc2c(c1Cl)cccc2
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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 C17H10ClN3O5S MW 403.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H10ClN3O5S/c18-15-10-3-1-2-4-14(10)27-16(15)17(22)20-19-7-9-5-12-13(26-8-25-12)6-11(9)21(23)24/h1-7H,8H2,(H,20,22)/b19-7+InChIKey
NAIYQIVPQYEHGE-FBCYGCLPSA-NSynonyms
(O)(N+)(=O)c1cc2OCOc2cc1C=NNC(=O)c1sc2c(c1Cl)cccc2
3CHLORON((6NITRO13BENZODIOXOL5YL)METHYLENE)1BENZOTHIOPHENE2CARBOHYDRAZIDE
3chloroN((E)(6nitro13benzodioxol5yl)methylidene)1benzothiophene2carbohydrazide
3chloroN((E)(6nitro13benzodioxol5yl)methylideneamino)1benzothiophene2carboxamide
C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)C3=C(C4=CC=CC=C4S3)Cl)(N+)(=O)(O)
InChI=1SC17H10ClN3O5Sc181510312414(10)2716(15)17(22)20197951213(2682512)611(9)21(23)24h17H8H2(H2022)b197+
MFCD02910180
N((1E)2(6NITRO(2HBENZO(D)13DIOXOLEN5YL))1AZAVINYL)(3CHLOROBENZO(B)THIOPHEN2YL)CARBOXAMIDE
ZINC000000695611
ZINC33335397
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