Vitas-M small molecule compound
N-({3-chloro-4-[4-(pentafluorophenyl)piperazin-1-yl]phenyl}carbamothioyl)-3,4,5-triethoxybenzamide
Catalog ID
STK386099
SMILES CCOc1cc(cc(c1OCC)OCC)C(=O)NC(=S)Nc1ccc(c(c1)Cl)N1CCN(CC1)c1c(F)c(F)c(c(c1F)F)F
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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 C30H30ClF5N4O4S MW 673.10 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30ClF5N4O4S/c1-4-42-20-13-16(14-21(43-5-2)28(20)44-6-3)29(41)38-30(45)37-17-7-8-19(18(31)15-17)39-9-11-40(12-10-39)27-25(35)23(33)22(32)24(34)26(27)36/h7-8,13-15H,4-6,9-12H2,1-3H3,(H2,37,38,41,45)InChIKey
RCWOUUUNJWSIIW-UHFFFAOYSA-NSynonyms
CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCN(CC3)C4=C(C(=C(C(=C4F)F)F)F)F)Cl
InChI=1SC30H30ClF5N4O4Sc1442201316(1421(4352)28(20)4463)29(41)3830(45)37177819(18(31)1517)3991140(121039)2725(35)23(33)22(32)24(34)26(27)36h781315H46912H213H3(H237384145)
MFCD03836757
N((3chloro4(4(23456pentafluorophenyl)piperazin1yl)phenyl)carbamothioyl)345triethoxybenzamide
N((3CHLORO4(4(PENTAFLUOROPHENYL)PIPERAZIN1YL)PHENYL)CARBAMOTHIOYL)345TRIETHOXYBENZAMIDE
ZINC000004122693
ZINC4122693
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