Vitas-M small molecule compound
(2E)-3-(4-chloro-3-nitrophenyl)-N-{4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]phenyl}prop-2-enamide
Catalog ID
STK336636
SMILES O=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)c1cccs1)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C24H21ClN4O4S MW 496.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21ClN4O4S/c25-20-9-3-17(16-21(20)29(32)33)4-10-23(30)26-18-5-7-19(8-6-18)27-11-13-28(14-12-27)24(31)22-2-1-15-34-22/h1-10,15-16H,11-14H2,(H,26,30)/b10-4+InChIKey
PEGXMFLQAZWRCT-ONNFQVAWSA-NSynonyms
(2E)3(4chloro3nitrophenyl)N(4(4(thiophen2ylcarbonyl)piperazin1yl)phenyl)prop2enamide
(E)3(4chloro3nitrophenyl)N(4(4(thiophene2carbonyl)piperazin1yl)phenyl)prop2enamide
C1CN(CCN1C2=CC=C(C=C2)NC(=O)C=CC3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=O)C4=CC=CS4
InChI=1SC24H21ClN4O4Sc25209317(1621(20)29(32)33)41023(30)26185719(8618)27111328(141227)24(31)2221153422h1101516H1114H2(H2630)b104+
MFCD06760449
O=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)c1cccs1)C=Cc1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000012843036
ZINC12843036
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