Vitas-M small molecule compound
(2E)-1-{4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}-3-(2-fluorophenyl)prop-2-en-1-one
Catalog ID
STK435218
SMILES O=C(N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])/C=C/c1ccccc1F
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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 C22H17ClFN3O4S MW 473.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClFN3O4S/c23-20-16-7-6-15(27(30)31)13-18(16)32-21(20)22(29)26-11-9-25(10-12-26)19(28)8-5-14-3-1-2-4-17(14)24/h1-8,13H,9-12H2/b8-5+InChIKey
BEPAXBRZUKSDIU-VMPITWQZSA-NSynonyms
588673-75-0(2E)1(4((3chloro6nitro1benzothiophen2yl)carbonyl)piperazin1yl)3(2fluorophenyl)prop2en1one
(2E)1(4((3CHLORO6NITROBENZO(B)THIOPHEN2YL)CARBONYL)PIPERAZINYL)3(2FLUOROPHENYL)PROP2EN1ONE
(E)1(4(3CHLORO6NITRO1BENZOTHIOPHENE2CARBONYL)PIPERAZIN1YL)3(2FLUOROPHENYL)PROP2EN1ONE
2PROPEN1ONE1(4((3CHLORO6NITROBENZO(B)THIEN2YL)CARBONYL)1PIPERAZINYL)3(2FLUOROPHENYL)(2E)
588673750
C1CN(CCN1C(=O)C=CC2=CC=CC=C2F)C(=O)C3=C(C4=C(S3)C=C(C=C4)(N+)(=O)(O))Cl
InChI=1SC22H17ClFN3O4Sc2320167615(27(30)31)1318(16)3221(20)22(29)2611925(101226)19(28)8514312417(14)24h1813H912H2b85+
MFCD03943499
O=C(N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O))C=Cc1ccccc1F
PIPERAZINE1(CARBONYL)4(31OXO2PROPENYL)
ZINC000020494447
ZINC20494447
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