Vitas-M small molecule compound
(3,6-dichloro-1-benzothiophen-2-yl){4-[(1-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]piperazin-1-yl}methanone
Catalog ID
STL397326
SMILES Clc1ccc2c(c1)sc(c2Cl)C(=O)N1CCN(CC1)C(=O)c1n(C)ncc1[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 C18H15Cl2N5O4S MW 468.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15Cl2N5O4S/c1-22-15(12(9-21-22)25(28)29)17(26)23-4-6-24(7-5-23)18(27)16-14(20)11-3-2-10(19)8-13(11)30-16/h2-3,8-9H,4-7H2,1H3InChIKey
XYMQDADAXCYGKN-UHFFFAOYSA-NSynonyms
1005657-40-8(36DICHLORO1BENZOTHIOPHEN2YL)(4((1METHYL4NITRO1HPYRAZOL5YL)CARBONYL)PIPERAZIN1YL)METHANONE
(4(36dichloro1benzothiophene2carbonyl)piperazin1yl)(2methyl4nitropyrazol3yl)methanone
1005657408
Clc1ccc2c(c1)sc(c2Cl)C(=O)N1CCN(CC1)C(=O)c1n(C)ncc1(N+)(=O)(O)
CN1C(=C(C=N1)(N+)(=O)(O))C(=O)N2CCN(CC2)C(=O)C3=C(C4=C(S3)C=C(C=C4)Cl)Cl
InChI=1SC18H15Cl2N5O4Sc12215(12(92122)25(28)29)17(26)234624(7523)18(27)1614(20)113210(19)813(11)3016h2389H47H21H3
MFCD04044542
ZINC000002781205
ZINC02781205
ZINC2781205
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