Vitas-M small molecule compound
(2E)-3-(4-chloro-3-nitrophenyl)-N-({4-[4-(thiophen-2-ylcarbonyl)piperazin-1-yl]phenyl}carbamothioyl)prop-2-enamide
Catalog ID
STK336457
SMILES S=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)c1cccs1)NC(=O)/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 C25H22ClN5O4S2 MW 556.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22ClN5O4S2/c26-20-9-3-17(16-21(20)31(34)35)4-10-23(32)28-25(36)27-18-5-7-19(8-6-18)29-11-13-30(14-12-29)24(33)22-2-1-15-37-22/h1-10,15-16H,11-14H2,(H2,27,28,32,36)/b10-4+InChIKey
FOIRXYBRVZREKY-ONNFQVAWSA-NSynonyms
(2E)3(4chloro3nitrophenyl)N((4(4(thiophen2ylcarbonyl)piperazin1yl)phenyl)carbamothioyl)prop2enamide
(E)3(4chloro3nitrophenyl)N((4(4(thiophene2carbonyl)piperazin1yl)phenyl)carbamothioyl)prop2enamide
C1CN(CCN1C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC(=C(C=C3)Cl)(N+)(=O)(O))C(=O)C4=CC=CS4
InChI=1SC25H22ClN5O4S2c26209317(1621(20)31(34)35)41023(32)2825(36)27185719(8618)29111330(141229)24(33)2221153722h1101516H1114H2(H227283236)b104+
MFCD06760666
S=C(Nc1ccc(cc1)N1CCN(CC1)C(=O)c1cccs1)NC(=O)C=Cc1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000100018614
ZINC100018614
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