Vitas-M small molecule compound
1-{4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}-3-phenylprop-2-yn-1-one
Catalog ID
STK436206
SMILES O=C(N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[N+](=O)[O-])C#Cc1ccccc1
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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 C22H16ClN3O4S MW 453.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16ClN3O4S/c23-20-17-8-7-16(26(29)30)14-18(17)31-21(20)22(28)25-12-10-24(11-13-25)19(27)9-6-15-4-2-1-3-5-15/h1-5,7-8,14H,10-13H2InChIKey
OHCVRVQCYGVTEW-UHFFFAOYSA-NSynonyms
588678-10-81(4((3chloro6nitro1benzothiophen2yl)carbonyl)piperazin1yl)3phenylprop2yn1one
1(4((3CHLORO6NITROBENZO(B)THIOPHEN2YL)CARBONYL)PIPERAZINYL)3PHENYLPROP2YN1ONE
1(4(3CHLORO6NITRO1BENZOTHIOPHENE2CARBONYL)PIPERAZIN1YL)3PHENYLPROP2YN1ONE
2PROPYN1ONE1(4((3CHLORO6NITROBENZO(B)THIEN2YL)CARBONYL)1PIPERAZINYL)3PHENYL
588678108
C1CN(CCN1C(=O)C#CC2=CC=CC=C2)C(=O)C3=C(C4=C(S3)C=C(C=C4)(N+)(=O)(O))Cl
InChI=1SC22H16ClN3O4Sc2320178716(26(29)30)1418(17)3121(20)22(28)25121024(111325)19(27)96154213515h157814H1013H2
MFCD03943919
O=C(N1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O))C#Cc1ccccc1
PIPERAZINE1((3CHLORO6NITROBENZO(B)THIOPHEN2YL)CARBONYL)4(1OXO3PHENYL2PROPYNYL)
ZINC000020508945
ZINC20508945
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