Vitas-M small molecule compound
(3-chloro-1-benzothiophen-2-yl){4-[3-(cyclopropylamino)-4-nitrophenyl]piperazin-1-yl}methanone
Catalog ID
STK205938
SMILES [O-][N+](=O)c1ccc(cc1NC1CC1)N1CCN(CC1)C(=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 C22H21ClN4O3S MW 456.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN4O3S/c23-20-16-3-1-2-4-19(16)31-21(20)22(28)26-11-9-25(10-12-26)15-7-8-18(27(29)30)17(13-15)24-14-5-6-14/h1-4,7-8,13-14,24H,5-6,9-12H2InChIKey
JJHBQWPBXMMXSH-UHFFFAOYSA-NSynonyms
(3CHLORO1BENZOTHIOPHEN2YL)(4(3(CYCLOPROPYLAMINO)4NITROPHENYL)PIPERAZIN1YL)METHANONE
(O)(N+)(=O)c1ccc(cc1NC1CC1)N1CCN(CC1)C(=O)c1sc2c(c1Cl)cccc2
C1CC1NC2=C(C=CC(=C2)N3CCN(CC3)C(=O)C4=C(C5=CC=CC=C5S4)Cl)(N+)(=O)(O)
InChI=1SC22H21ClN4O3Sc232016312419(16)3121(20)22(28)2611925(101226)157818(27(29)30)17(1315)24145614h1478131424H56912H2
MFCD06006769
ZINC000009971718
ZINC09971718
ZINC9971718
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