Vitas-M small molecule compound
methyl 2-[({4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}acetyl)amino]-4-phenylthiophene-3-carboxylate
Catalog ID
STK466987
SMILES COC(=O)c1c(scc1c1ccccc1)NC(=O)CN1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)[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 C27H23ClN4O6S2 MW 599.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23ClN4O6S2/c1-38-27(35)22-19(16-5-3-2-4-6-16)15-39-25(22)29-21(33)14-30-9-11-31(12-10-30)26(34)24-23(28)18-8-7-17(32(36)37)13-20(18)40-24/h2-8,13,15H,9-12,14H2,1H3,(H,29,33)InChIKey
ADWIIYKKEIXAPN-UHFFFAOYSA-NSynonyms
COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C(=O)C4=C(C5=C(S4)C=C(C=C5)(N+)(=O)(O))Cl
COC(=O)c1c(scc1c1ccccc1)NC(=O)CN1CCN(CC1)C(=O)c1sc2c(c1Cl)ccc(c2)(N+)(=O)(O)
InChI=1SC27H23ClN4O6S2c13827(35)2219(165324616)153925(22)2921(33)143091131(121030)26(34)2423(28)188717(32(36)37)1320(18)4024h281315H91214H21H3(H2933)
methyl2(((4((3chloro6nitro1benzothiophen2yl)carbonyl)piperazin1yl)acetyl)amino)4phenylthiophene3carboxylate
methyl2((2(4(3chloro6nitro1benzothiophene2carbonyl)piperazin1yl)acetyl)amino)4phenylthiophene3carboxylate
METHYL2(2(4((3CHLORO6NITROBENZO(B)THIOPHEN2YL)CARBONYL)PIPERAZINYL)ACETYLAMINO)4PHENYLTHIOPHENE3CARBOXYLATE
MFCD06053333
ZINC000097948721
ZINC97948721
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.