Vitas-M small molecule compound

tert-butyl 4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazine-1-carboxylate

Catalog ID
STK434549
SMILES O=C(N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])OC(C)(C)C

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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 C18H20ClN3O5S MW 425.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20ClN3O5S/c1-18(2,3)27-17(24)21-8-6-20(7-9-21)16(23)15-14(19)12-5-4-11(22(25)26)10-13(12)28-15/h4-5,10H,6-9H2,1-3H3
InChIKey
WEPYSABIAMNYLV-UHFFFAOYSA-N
Synonyms
587852-85-5
1PIPERAZINECARBOXYLICACID4(CARBONYL)11DIMETHYLETHYLESTER
587852855
CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2=C(C3=C(S2)C=C(C=C3)(N+)(=O)(O))Cl
InChI=1SC18H20ClN3O5Sc118(23)2717(24)218620(7921)16(23)1514(19)125411(22(25)26)1013(12)2815h4510H69H213H3
MFCD03942758
O=C(N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O))OC(C)(C)C
tertbutyl4((3chloro6nitro1benzothiophen2yl)carbonyl)piperazine1carboxylate
TERTBUTYL4((3CHLORO6NITROBENZO(B)THIOPHEN2YL)CARBONYL)PIPERAZINECARBOXYLATE
TERTBUTYL4(3CHLORO6NITRO1BENZOTHIOPHENE2CARBONYL)PIPERAZINE1CARBOXYLATE
ZINC000017094630
ZINC17094630

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Available files

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