Vitas-M small molecule compound

6-tert-butyl-N'-[(Z)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbohydrazide

Catalog ID
STK449365
SMILES O=C(c1csc2c1CCC(C2)C(C)(C)C)N/N=C\c1cc2OCOc2cc1[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 C21H23N3O5S MW 429.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O5S/c1-21(2,3)13-4-5-14-15(10-30-19(14)7-13)20(25)23-22-9-12-6-17-18(29-11-28-17)8-16(12)24(26)27/h6,8-10,13H,4-5,7,11H2,1-3H3,(H,23,25)/b22-9-
InChIKey
SPNBVKDHTDWFQP-AFPJDJCSSA-N
Synonyms

6tertbutylN((Z)(6nitro13benzodioxol5yl)methylidene)4567tetrahydro1benzothiophene3carbohydrazide
6tertbutylN((Z)(6nitro13benzodioxol5yl)methylideneamino)4567tetrahydro1benzothiophene3carboxamide
CC(C)(C)C1CCC2=C(C1)SC=C2C(=O)NN=CC3=CC4=C(C=C3(N+)(=O)(O))OCO4
InChI=1SC21H23N3O5Sc121(23)13451415(103019(14)713)20(25)232291261718(29112817)816(12)24(26)27h681013H45711H213H3(H2325)b229
MFCD03466959
O=C(c1csc2c1CCC(C2)C(C)(C)C)NN=Cc1cc2OCOc2cc1(N+)(=O)(O)
ZINC000008455620
ZINC000032573508

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Available files

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